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

C13H12F3N3O2S — CID 27449178

IUPAC3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O2S/c1-7-10(12(17-2)22-19-7)11(20)18-8-3-5-9(6-4-8)21-13(14,15)16/h3-6,17H,1-2H3,(H,18,20)
InChIKeyPSFNCTLOLMMYLR-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.64
Rot. Bonds4

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

3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide (PubChem CID 27449178) has the molecular formula C13H12F3N3O2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide
PubChem CID27449178
Molecular FormulaC13H12F3N3O2S
Molecular Weight331.32 g/mol
Exact Mass331.06
IUPAC Name3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O2S/c1-7-10(12(17-2)22-19-7)11(20)18-8-3-5-9(6-4-8)21-13(14,15)16/h3-6,17H,1-2H3,(H,18,20)
InChIKeyPSFNCTLOLMMYLR-UHFFFAOYSA-N
XLogP3.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide
CID 35893942
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 134024210
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
3-methyl-5-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-4-carboxamide
CID 35934960
4-methyl-2-pyrimidin-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 55810916
5-methyl-7-oxo-N-[4-(trifluoromethoxy)phenyl]-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
CID 135495828
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
S-phenyl 5-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]-1,2-oxazole-3-carbothioate
CID 15729115

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide (CID 27449178) is 3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide?
The InChIKey is PSFNCTLOLMMYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2S/c1-7-10(12(17-2)22-19-7)11(20)18-8-3-5-9(6-4-8)21-13(14,15)16/h3-6,17H,1-2H3,(H,18,20).
What are the key properties of 3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 27449178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).