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

C15H9F2N3OS — CID 1483698

IUPACN-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1csc(-c2ccncc2)n1
InChIInChI=1S/C15H9F2N3OS/c16-10-1-2-12(11(17)7-10)19-14(21)13-8-22-15(20-13)9-3-5-18-6-4-9/h1-8H,(H,19,21)
InChIKeyMUZLHKVRLSJOQC-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.74
Rot. Bonds3

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

N-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 1483698) has the molecular formula C15H9F2N3OS and a molecular weight of 317.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID1483698
Molecular FormulaC15H9F2N3OS
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC NameN-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1csc(-c2ccncc2)n1
InChIInChI=1S/C15H9F2N3OS/c16-10-1-2-12(11(17)7-10)19-14(21)13-8-22-15(20-13)9-3-5-18-6-4-9/h1-8H,(H,19,21)
InChIKeyMUZLHKVRLSJOQC-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 1483698) is N-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1csc(-c2ccncc2)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MUZLHKVRLSJOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3OS/c16-10-1-2-12(11(17)7-10)19-14(21)13-8-22-15(20-13)9-3-5-18-6-4-9/h1-8H,(H,19,21).
What are the key properties of N-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1483698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).