2-Amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

C₈H₁₀N₂OSCAS 77651-38-8182.24 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₈H₁₀N₂OS
Molar mass: 182.24 g/mol
Exact mass: 182.0514 Da
logP: 0.92Crippen estimate
Polar surface area: 69.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

77651-38-8

SMILES

C1CC2=C(C1)SC(=C2C(=O)N)N

InChIKey

CIYGFKXNRTYHLB-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2OS/c9-7(11)6-4-2-1-3-5(4)12-8(6)10/h1-3,10H2,(H2,9,11)

Weigh it out

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

Names and synonyms

1 names

2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxamide

Work with 2-Amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

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-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide4815-28-593 % similar 2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxylic acid methyl ester184174-80-959 % similar Ethyl 2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate4815-29-656 % similar 2-Amino-4,5,6,7-tetrahydro-benzo[B]thiophene-3-carboxylic acid methyl ester108354-78-555 % similar Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate4506-71-252 % similar 2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carbonitrile70291-62-244 % similar 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile4651-91-640 % similar 2-Amino-4-methylthiophene-3-carboxamide4651-97-237 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-Methoxyphenyl)thiourea1516-37-6 (4-Methoxyphenyl)thiourea2293-07-4

Elsewhere

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