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

C16H10ClFN2OS — CID 141183960

IUPACN-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc(Cl)c(F)c1)c1cncs1
InChIInChI=1S/C16H10ClFN2OS/c17-12-6-5-10(7-13(12)18)11-3-1-2-4-14(11)20-16(21)15-8-19-9-22-15/h1-9H,(H,20,21)
InChIKeyVDGIQSRVIQGQOW-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.85
Rot. Bonds3

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

N-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 141183960) has the molecular formula C16H10ClFN2OS and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID141183960
Molecular FormulaC16H10ClFN2OS
Molecular Weight332.79 g/mol
Exact Mass332.02
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc(Cl)c(F)c1)c1cncs1
InChIInChI=1S/C16H10ClFN2OS/c17-12-6-5-10(7-13(12)18)11-3-1-2-4-14(11)20-16(21)15-8-19-9-22-15/h1-9H,(H,20,21)
InChIKeyVDGIQSRVIQGQOW-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide (CID 141183960) is N-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide is O=C(Nc1ccccc1-c1ccc(Cl)c(F)c1)c1cncs1.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VDGIQSRVIQGQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2OS/c17-12-6-5-10(7-13(12)18)11-3-1-2-4-14(11)20-16(21)15-8-19-9-22-15/h1-9H,(H,20,21).
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide?
N-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141183960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).