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

C17H10ClF3N2OS — CID 1486922

IUPACN-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H10ClF3N2OS/c18-12-4-6-13(7-5-12)22-15(24)14-9-25-16(23-14)10-2-1-3-11(8-10)17(19,20)21/h1-9H,(H,22,24)
InChIKeyUIPHSVURZCSHTO-UHFFFAOYSA-N
MW382.79 g/mol
LogP5.73
Rot. Bonds3

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

N-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 1486922) has the molecular formula C17H10ClF3N2OS and a molecular weight of 382.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID1486922
Molecular FormulaC17H10ClF3N2OS
Molecular Weight382.79 g/mol
Exact Mass382.02
IUPAC NameN-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H10ClF3N2OS/c18-12-4-6-13(7-5-12)22-15(24)14-9-25-16(23-14)10-2-1-3-11(8-10)17(19,20)21/h1-9H,(H,22,24)
InChIKeyUIPHSVURZCSHTO-UHFFFAOYSA-N
XLogP5.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.79
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 1486922) is N-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1csc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UIPHSVURZCSHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2OS/c18-12-4-6-13(7-5-12)22-15(24)14-9-25-16(23-14)10-2-1-3-11(8-10)17(19,20)21/h1-9H,(H,22,24).
What are the key properties of N-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 382.79 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1486922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).