N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C15H9ClFN3OS — CID 17404608

IUPACN-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)c1ccccn1
InChIInChI=1S/C15H9ClFN3OS/c16-11-7-9(17)4-5-10(11)13-8-22-15(19-13)20-14(21)12-3-1-2-6-18-12/h1-8H,(H,19,20,21)
InChIKeyGLFJDBLBLNWBHT-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.25
Rot. Bonds3

About N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 17404608) has the molecular formula C15H9ClFN3OS and a molecular weight of 333.78 g/mol. Its IUPAC name is N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID17404608
Molecular FormulaC15H9ClFN3OS
Molecular Weight333.78 g/mol
Exact Mass333.01
IUPAC NameN-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)c1ccccn1
InChIInChI=1S/C15H9ClFN3OS/c16-11-7-9(17)4-5-10(11)13-8-22-15(19-13)20-14(21)12-3-1-2-6-18-12/h1-8H,(H,19,20,21)
InChIKeyGLFJDBLBLNWBHT-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-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17404607
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 71537816
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 17404608) is N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)c1ccccn1.
What is the InChIKey of N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is GLFJDBLBLNWBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3OS/c16-11-7-9(17)4-5-10(11)13-8-22-15(19-13)20-14(21)12-3-1-2-6-18-12/h1-8H,(H,19,20,21).
What are the key properties of N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-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-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 17404608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).