2-Amino-4,5,6,7-tetrahydro-6-(1-methylethyl)thieno[2,3-c]pyridine-3-carbonitrile

C₁₁H₁₅N₃SCAS 26830-40-0221.32 g/mol

Open in Covalent MOL file

Nitrile Primary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₅N₃S
Molar mass: 221.32 g/mol
Exact mass: 221.0987 Da
Melting point: 168–169 °C
logP: 1.97Crippen estimate
Polar surface area: 53.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

26830-40-0

SMILES

CC(C)N1CCc2c(sc(N)c2C#N)C1

InChIKey

GRVDEWDYQKUPSB-UHFFFAOYSA-N

InChI

InChI=1S/C11H15N3S/c1-7(2)14-4-3-8-9(5-12)11(13)15-10(8)6-14/h7H,3-4,6,13H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Thieno[2,3-c]pyridine-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-6-(1-methylethyl)-
Thieno[2,3-c]pyridine-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-6-isopropyl-
2-Amino-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-3-carbonitrile
2-Amino-6-isopropyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carbonitrile
2-Amino-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
2-Amino-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile
2-Amino-6-(propan-2-yl)-4H,5H,6H,7H-thieno(2,3-c)pyridine-3-carbonitrile

Work with 2-Amino-4,5,6,7-tetrahydro-6-(1-methylethyl)thieno[2,3-c]pyridine-3-carbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carbonitrile37578-06-665 % similar 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile42225-04-754 % similar 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile4651-91-652 % similar 2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carbonitrile70291-62-252 % similar 2,5-Diamino-3,4-dicyanothiophene17989-89-838 % similar Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate58168-20-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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