2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C12H10F3N3OS — CID 66475257

IUPAC2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1csc(N)n1
InChIInChI=1S/C12H10F3N3OS/c1-6-2-3-7(12(13,14)15)4-8(6)17-10(19)9-5-20-11(16)18-9/h2-5H,1H3,(H2,16,18)(H,17,19)
InChIKeyHEWXZEMZMRDXMD-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.30
Rot. Bonds2

About 2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 66475257) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID66475257
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1csc(N)n1
InChIInChI=1S/C12H10F3N3OS/c1-6-2-3-7(12(13,14)15)4-8(6)17-10(19)9-5-20-11(16)18-9/h2-5H,1H3,(H2,16,18)(H,17,19)
InChIKeyHEWXZEMZMRDXMD-UHFFFAOYSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116155
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 62787357
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;N-[2-amino-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylanilino)-1,3-thiazole-4-carboxamide;methane
CID 159944074
2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788227
2-amino-N-(2,5-dichloro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 113445874
4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 66478729
2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66381003
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788040
2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62788576

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 66475257) is 2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is Cc1ccc(C(F)(F)F)cc1NC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HEWXZEMZMRDXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-6-2-3-7(12(13,14)15)4-8(6)17-10(19)9-5-20-11(16)18-9/h2-5H,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 301.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66475257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).