N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C13H11F3N2O2S — CID 110676695

IUPACN-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C13H11F3N2O2S/c1-7-10(21-12(17-7)13(14,15)16)11(19)18-8-3-5-9(20-2)6-4-8/h3-6H,1-2H3,(H,18,19)
InChIKeyZCZQIGFQNBNRFR-UHFFFAOYSA-N
MW316.30 g/mol
LogP3.73
Rot. Bonds3

About N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110676695) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID110676695
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC NameN-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C13H11F3N2O2S/c1-7-10(21-12(17-7)13(14,15)16)11(19)18-8-3-5-9(20-2)6-4-8/h3-6H,1-2H3,(H,18,19)
InChIKeyZCZQIGFQNBNRFR-UHFFFAOYSA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 110676695) is N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(C(F)(F)F)nc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZCZQIGFQNBNRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-7-10(21-12(17-7)13(14,15)16)11(19)18-8-3-5-9(20-2)6-4-8/h3-6H,1-2H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 316.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110676695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).