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

C18H13ClF2N2OS — CID 68737415

IUPACN-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)N(c2ccccc2-c2ccc(Cl)cc2)C(F)F)s1
InChIInChI=1S/C18H13ClF2N2OS/c1-11-22-10-16(25-11)17(24)23(18(20)21)15-5-3-2-4-14(15)12-6-8-13(19)9-7-12/h2-10,18H,1H3
InChIKeyRYQGZKXJEGFLFB-UHFFFAOYSA-N
MW378.83 g/mol
LogP5.64
Rot. Bonds4

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

N-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 68737415) has the molecular formula C18H13ClF2N2OS and a molecular weight of 378.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID68737415
Molecular FormulaC18H13ClF2N2OS
Molecular Weight378.83 g/mol
Exact Mass378.04
IUPAC NameN-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)N(c2ccccc2-c2ccc(Cl)cc2)C(F)F)s1
InChIInChI=1S/C18H13ClF2N2OS/c1-11-22-10-16(25-11)17(24)23(18(20)21)15-5-3-2-4-14(15)12-6-8-13(19)9-7-12/h2-10,18H,1H3
InChIKeyRYQGZKXJEGFLFB-UHFFFAOYSA-N
XLogP5.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.83
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 68737415) is N-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)N(c2ccccc2-c2ccc(Cl)cc2)C(F)F)s1.
What is the InChIKey of N-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RYQGZKXJEGFLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2OS/c1-11-22-10-16(25-11)17(24)23(18(20)21)15-5-3-2-4-14(15)12-6-8-13(19)9-7-12/h2-10,18H,1H3.
What are the key properties of N-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 378.83 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 68737415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).