N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

C15H9ClFN3OS — CID 78824310

IUPACN-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H9ClFN3OS/c16-10-3-6-13(18-7-10)20-14(21)12-8-22-15(19-12)9-1-4-11(17)5-2-9/h1-8H,(H,18,20,21)
InChIKeyNROYISNNKRYGJZ-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.25
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 78824310) has the molecular formula C15H9ClFN3OS and a molecular weight of 333.78 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID78824310
Molecular FormulaC15H9ClFN3OS
Molecular Weight333.78 g/mol
Exact Mass333.01
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H9ClFN3OS/c16-10-3-6-13(18-7-10)20-14(21)12-8-22-15(19-12)9-1-4-11(17)5-2-9/h1-8H,(H,18,20,21)
InChIKeyNROYISNNKRYGJZ-UHFFFAOYSA-N
XLogP4.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 34136046
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 9043781
2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
CID 167902187
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824329
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 78824310) is N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Cl)cn1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NROYISNNKRYGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3OS/c16-10-3-6-13(18-7-10)20-14(21)12-8-22-15(19-12)9-1-4-11(17)5-2-9/h1-8H,(H,18,20,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 333.78 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78824310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).