(4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methanamine

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Basic information

CAS: 690632-25-8
Standard SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN
InChIKey: DUJZUDMEISQWHO-UHFFFAOYSA-N
Molecular formula: C12H11F3N2S
Average molar mass: 272.29 g/mol
Monoisotopic mass: 272.05950402

Names & identifiers

Preferred name: (4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methanamine
IUPAC: [4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
English name: (4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methanamine
Molecular formula: C12H11F3N2S
Molecular weight: 272.29

Names & synonyms

690632-25-8(4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methanamine{4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanamine[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamineMFCD037912191-{4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methanamine(4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL)METHANAMINE{4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}METHYLAMINESCHEMBL3822273DTXSID60382415DUJZUDMEISQWHO-UHFFFAOYSA-NAKOS005070408

Show more names

5-Thiazolemethanamine, 4-methyl-2-[4-(trifluoromethyl)phenyl]-[4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL]METHYLAMINE

DB-074107CS-03313464W-0258

Database identifiers

CAS: 690632-25-8
PubChem CID: 2783045
DTXSID: DTXSID60382415

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 277

Physicochemical properties

Melting point: 71 °C · 71 °C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P302+P352-P304+P340-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2934100090 · 2934100090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code: 2934100090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1H-Isoindole-1,3(2H)-dione, 2-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]-5-(Bromomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

Related reactions

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Compound notes

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