2-{[3,5-bis(trifluoromethyl)phenyl]amino}-1,3-thiazole-4-carboxylic acid

2-{[3,5-bis(trifluoromethyl)phenyl]amino}-1,3-thiazole-4-carboxylic acid

CAS: 1797385-91-1

Formula: C12H6F6N2O2S

SMILES: OC(=O)C1=CSC(NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)=N1

IUPAC: 2-{[3,5-bis(trifluoromethyl)phenyl]amino}-1,3-thiazole-4-carboxylic acid

InChI: InChI=1S/C12H6F6N2O2S/c13-11(14,15)5-1-6(12(16,17)18)3-7(2-5)19-10-20-8(4-23-10)9(21)22/h1-4H,(H,19,20)(H,21,22)

Composition: C (40.46%), H (1.70%), F (32.00%), N (7.86%), O (8.98%), S (9.00%)

Molar Mass: 356.24

Atom Count: 29

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	356.005417593
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JZIYARREMADFOM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.06
Topological Polar Surface Area	62.22
Polarizability	24.24
Ring Count	2
Rotatable Bond Count	5

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