2-Aminothiazole-5-carbonitrile

C₄H₃N₃SCAS 51640-52-9125.15 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₄H₃N₃S
Molar mass: 125.15 g/mol
Exact mass: 125.0048 Da
logP: 0.60Crippen estimate
Polar surface area: 62.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H318 Causes serious eye damage90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

51640-52-9

SMILES

C1=C(SC(=N1)N)C#N

InChIKey

YJTBHWXNEMGNDC-UHFFFAOYSA-N

InChI

InChI=1S/C4H3N3S/c5-1-3-2-7-4(6)8-3/h2H,(H2,6,7)

Weigh it out

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

Names and synonyms

1 names

2-Amino-1,3-thiazole-5-carbonitrile

Work with 2-Aminothiazole-5-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-Chlorothiazole-5-carbonitrile51640-36-953 % similar 5-Fluorothiazol-2-amine hydrochloride745053-64-941 % similar 5-(Trifluoromethyl)thiazol-2-amine169260-97-339 % similar 5-Amino-2-pyrimidinecarbonitrile56621-93-339 % similar 2-Aminothiazole-5-sulfonamide63735-95-538 % similar 2-Amino-benzothiazole-6-carbonitrile19759-66-136 % similar 3-Amino-6-cyanopyridine55338-73-335 % similar (5-Cyanothiophen-2-yl)boronic acid305832-67-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook