2-cyano-N-(1,3-thiazol-2-yl)acetamide

HCID 693166

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Basic information

CAS: 90158-62-6
Standard SMILES: N#CCC(=O)Nc1nccs1
InChIKey: ZSPNFPWMLPHDQS-UHFFFAOYSA-N
Molecular formula: C6H5N3OS
Average molar mass: 167.19 g/mol
Monoisotopic mass: 167.01533278

Names & identifiers

Preferred name: 2-cyano-N-(1,3-thiazol-2-yl)acetamide
IUPAC: 2-cyano-N-(1,3-thiazol-2-yl)acetamide
English name: 2-Cyano-N-thiazol-2-yl-acetamide
Molecular formula: C6H5N3OS
Molecular weight: 167.19

Names & synonyms

2-cyano-N-(1,3-thiazol-2-yl)acetamideRefChem:470674963-325-590158-62-62-cyano-N-(thiazol-2-yl)acetamide2-Cyano-N-thiazol-2-yl-acetamide2-cyano-N-1,3-thiazol-2-ylacetamideMFCD00608535F1673-5147BAS 003295852-(cyanoacetylamino)thiazoleOprea1_074140

Show more names

Acetamide, 2-cyano-N-2-thiazolyl-2-cyano-N-(1,3-thiazol-2-yl)ethanamide

Oprea1_775450SCHEMBL6374561DTXSID70351192ZSPNFPWMLPHDQS-UHFFFAOYSA-NHMS1675J092-Cyano-N-(2-thiazolyl)acetamideSMSSF-0596724ALBB-008605

Database identifiers

CAS: 90158-62-6
PubChem CID: 693166
DTXSID: DTXSID70351192
EC Number: 963-325-5
Nikkaji: J2.582.766J

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 94 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 197

Physicochemical properties

storage temp.: Store at room temperature
Appearance: White to off-white Solid
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.