N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide

C16H10F2N2OS — CID 1486906

IUPACN-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H10F2N2OS/c17-11-6-7-13(12(18)8-11)19-15(21)14-9-22-16(20-14)10-4-2-1-3-5-10/h1-9H,(H,19,21)
InChIKeyQPRMWNWRAPNJMU-UHFFFAOYSA-N
MW316.33 g/mol
LogP4.34
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide

N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 1486906) has the molecular formula C16H10F2N2OS and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID1486906
Molecular FormulaC16H10F2N2OS
Molecular Weight316.33 g/mol
Exact Mass316.05
IUPAC NameN-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H10F2N2OS/c17-11-6-7-13(12(18)8-11)19-15(21)14-9-22-16(20-14)10-4-2-1-3-5-10/h1-9H,(H,19,21)
InChIKeyQPRMWNWRAPNJMU-UHFFFAOYSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 1486906) is N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is QPRMWNWRAPNJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2OS/c17-11-6-7-13(12(18)8-11)19-15(21)14-9-22-16(20-14)10-4-2-1-3-5-10/h1-9H,(H,19,21).
What are the key properties of N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1486906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).