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

C17H12ClFN2OS — CID 141187663

IUPACN-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2-c2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C17H12ClFN2OS/c1-10-20-9-16(23-10)17(22)21-15-5-3-2-4-12(15)11-6-7-13(18)14(19)8-11/h2-9H,1H3,(H,21,22)
InChIKeyMNOQRZQMHRDPLK-UHFFFAOYSA-N
MW346.81 g/mol
LogP5.16
Rot. Bonds3

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

N-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 141187663) has the molecular formula C17H12ClFN2OS and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID141187663
Molecular FormulaC17H12ClFN2OS
Molecular Weight346.81 g/mol
Exact Mass346.03
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2-c2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C17H12ClFN2OS/c1-10-20-9-16(23-10)17(22)21-15-5-3-2-4-12(15)11-6-7-13(18)14(19)8-11/h2-9H,1H3,(H,21,22)
InChIKeyMNOQRZQMHRDPLK-UHFFFAOYSA-N
XLogP5.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.81
LogP ≤ 55.16
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]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 141187663) is N-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccccc2-c2ccc(Cl)c(F)c2)s1.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MNOQRZQMHRDPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2OS/c1-10-20-9-16(23-10)17(22)21-15-5-3-2-4-12(15)11-6-7-13(18)14(19)8-11/h2-9H,1H3,(H,21,22).
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 5.16, 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]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141187663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).