2-Amino-3-thiophenecarboxamide

C₅H₆N₂OSCAS 14080-51-4142.18 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₅H₆N₂OS
Molar mass: 142.18 g/mol
Exact mass: 142.0201 Da
logP: 0.43Crippen estimate
Polar surface area: 69.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed25% of notifiers
H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation75% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14080-51-4

SMILES

NC(=O)c1ccsc1N

InChIKey

WHZIZZOTISTHCT-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2OS/c6-4(8)3-1-2-9-5(3)7/h1-2H,7H2,(H2,6,8)

Weigh it out

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

Names and synonyms

4 names

3-Thiophenecarboxamide, 2-amino-
2-Aminothiophene-3-carboxamide
2-Amino-3-carbamoylthiophene
2-Amino-thiophene-3-carboxylic acid amide

Work with 2-Amino-3-thiophenecarboxamide

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

Methyl 2-amino-3-thiophenecarboxylate4651-81-453 % similar Ethyl 2-aminothiophene-3-carboxylate31891-06-250 % similar 2-Thiophenecarboxamide5813-89-844 % similar 2-Amino-4-methylthiophene-3-carboxamide4651-97-242 % similar Terephthalamide3010-82-041 % similar 2-Aminopyridine-3-carboxamide13438-65-839 % similar 2-Amino-4-methylbenzamide39549-79-639 % similar 4H-Cyclopenta[2,1-B:3,4-B']dithiophen-4-one25796-77-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Aminothiophene-2-carboxamide147123-47-5 Thiophene-2-carbohydrazide2361-27-5 N-2-Thiazolylacetamide2719-23-5 Methylthiouracil56-04-2 2-(Methylthio)-4(3H)-pyrimidinone5751-20-2 2-Thiothymine636-26-0

Elsewhere

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