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

C15H9ClFN3OS — CID 17404607

IUPACN-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)c1ccncc1
InChIInChI=1S/C15H9ClFN3OS/c16-12-7-10(17)1-2-11(12)13-8-22-15(19-13)20-14(21)9-3-5-18-6-4-9/h1-8H,(H,19,20,21)
InChIKeyWETLDPPTJVWZQA-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.25
Rot. Bonds3

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

N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 17404607) 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-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID17404607
Molecular FormulaC15H9ClFN3OS
Molecular Weight333.78 g/mol
Exact Mass333.01
IUPAC NameN-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)c1ccncc1
InChIInChI=1S/C15H9ClFN3OS/c16-12-7-10(17)1-2-11(12)13-8-22-15(19-13)20-14(21)9-3-5-18-6-4-9/h1-8H,(H,19,20,21)
InChIKeyWETLDPPTJVWZQA-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-2-carboxamide
CID 17404608
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
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
3,5-dichloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 5159271
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 17404607) is N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)c1ccncc1.
What is the InChIKey of N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is WETLDPPTJVWZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3OS/c16-12-7-10(17)1-2-11(12)13-8-22-15(19-13)20-14(21)9-3-5-18-6-4-9/h1-8H,(H,19,20,21).
What are the key properties of N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-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-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 17404607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).