1,3-Thiazole-4-carboxamide

HCID 445276CAS 3575-09-5

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Basic information

Standard SMILES: NC(=O)c1cscn1
InChIKey: PQQRHWFRZHFGFM-UHFFFAOYSA-N
Molecular formula: C4H4N2OS
Average molar mass: 128.15 g/mol
Monoisotopic mass: 128.00443393

Names & identifiers

Preferred name: 1,3-Thiazole-4-carboxamide
IUPAC: 1,3-thiazole-4-carboxamide
English name: Thiazole-4-carboxamide
Molecular formula: C4H4N2OS
Molecular weight: 128.15

Names & synonyms

1,3-thiazole-4-carboxamideRefChem:415732960-899-9Thiazole-4-carboxamide3575-09-5MFCD006235904-THIAZOLECARBOXAMIDEThiazole-4-carboxamide, 1,3-thiazole-4-carboxamide, 3575-09-5, Thiazole-4-carboxylic acid amide, Thiazole-4-carboxamide;, AC1L9HPR, ACMC-1CQP1, SureCN166576, 4-THIAZOLECARBOXAMIDE, ANW-13839, WTI-10222, ZINC02046868, AKOS006239111, AB06564, AG-B-76921, OR59344, RP00869, AK-28093, AM803773, KB-61596SCHEMBL166576SCHEMBL742184SCHEMBL1373859DTXSID50332181

Show more names

Thiazole-4-carboxylic acid amide

PQQRHWFRZHFGFM-UHFFFAOYSA-NThiazole-4-carboxamide, AldrichCPRAKOS006239111AB06564SY229713TS-00016CS-0342857EN300-131869

Database identifiers

CAS: 3575-09-5
PubChem CID: 445276
DTXSID: DTXSID50332181
EC Number: 960-899-9
Nikkaji: J783.268K

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 106

Physicochemical properties

storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
Appearance: Off-white to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
HS Code: 2934100090 · 2934100090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

Safety data

hs_code: 2934100090
risk_code: 36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501