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

C19H14ClF3N2OS — CID 155568751

IUPAC2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14ClF3N2OS/c1-11-16(27-18(25-11)13-5-7-15(20)8-6-13)17(26)24-10-12-3-2-4-14(9-12)19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyRTKLAFFNORRYTO-UHFFFAOYSA-N
MW410.85 g/mol
LogP5.72
Rot. Bonds4

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

2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 155568751) has the molecular formula C19H14ClF3N2OS and a molecular weight of 410.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID155568751
Molecular FormulaC19H14ClF3N2OS
Molecular Weight410.85 g/mol
Exact Mass410.05
IUPAC Name2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14ClF3N2OS/c1-11-16(27-18(25-11)13-5-7-15(20)8-6-13)17(26)24-10-12-3-2-4-14(9-12)19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyRTKLAFFNORRYTO-UHFFFAOYSA-N
XLogP5.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 155568751) is 2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RTKLAFFNORRYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2OS/c1-11-16(27-18(25-11)13-5-7-15(20)8-6-13)17(26)24-10-12-3-2-4-14(9-12)19(21,22)23/h2-9H,10H2,1H3,(H,24,26).
What are the key properties of 2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 410.85 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155568751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).