2-Amino-4,7-dihydro-5H-thieno[2,3-C]pyridine-3,6-dicarboxylic acid 6-tert butyl ester 3-ethyl ester

C₁₅H₂₂N₂O₄SCAS 193537-14-3326.41 g/mol

Open in Covalent MOL file

Carbamate Ester Primary amine

Properties

Molecular formula: C₁₅H₂₂N₂O₄S
Molar mass: 326.41 g/mol
Exact mass: 326.1300 Da
logP: 2.80Crippen estimate
Polar surface area: 81.9 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

193537-14-3

SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OC(C)(C)C)N

InChIKey

XSXVOVXVHBSSSN-UHFFFAOYSA-N

InChI

InChI=1S/C15H22N2O4S/c1-5-20-13(18)11-9-6-7-17(8-10(9)22-12(11)16)14(19)21-15(2,3)4/h5-8,16H2,1-4H3

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Names and synonyms

1 names

6-tert-Butyl 3-ethyl 2-amino-4H,5H,6H,7H-thieno(2,3-c)pyridine-3,6-dicarboxylate

Work with 2-Amino-4,7-dihydro-5H-thieno[2,3-C]pyridine-3,6-dicarboxylic acid 6-tert butyl ester 3-ethyl ester

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

Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate4506-71-256 % similar Ethyl 2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate4815-29-656 % similar Tinoridine hydrochloride25913-34-254 % similar tert-Butyl 2-bromo-6,7-dihydrothiazolo[5,4-C]pyridine-5(4H)-carboxylate365996-06-146 % similar 1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate365996-05-045 % similar tert-Butyl 2-bromo-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate949922-62-743 % similar Ethyl 2-amino-4,5-dimethyl3-thenoate4815-24-141 % similar Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate4815-30-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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