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

C18H12F4N2OS — CID 21043952

IUPACN-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccc(F)cc2)s1
InChIInChI=1S/C18H12F4N2OS/c1-10-23-16(18(20,21)22)15(26-10)17(25)24-14-5-3-2-4-13(14)11-6-8-12(19)9-7-11/h2-9H,1H3,(H,24,25)
InChIKeyWVCVDTFVWDCOGT-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.53
Rot. Bonds3

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

N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 21043952) has the molecular formula C18H12F4N2OS and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID21043952
Molecular FormulaC18H12F4N2OS
Molecular Weight380.37 g/mol
Exact Mass380.06
IUPAC NameN-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccc(F)cc2)s1
InChIInChI=1S/C18H12F4N2OS/c1-10-23-16(18(20,21)22)15(26-10)17(25)24-14-5-3-2-4-13(14)11-6-8-12(19)9-7-11/h2-9H,1H3,(H,24,25)
InChIKeyWVCVDTFVWDCOGT-UHFFFAOYSA-N
XLogP5.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(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-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 21043952) is N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WVCVDTFVWDCOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2OS/c1-10-23-16(18(20,21)22)15(26-10)17(25)24-14-5-3-2-4-13(14)11-6-8-12(19)9-7-11/h2-9H,1H3,(H,24,25).
What are the key properties of N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 21043952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).