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

C15H8ClF2N3OS — CID 4135604

IUPAC2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccnc1Cl
InChIInChI=1S/C15H8ClF2N3OS/c16-13-10(2-1-5-19-13)14(22)21-15-20-12(7-23-15)9-4-3-8(17)6-11(9)18/h1-7H,(H,20,21,22)
InChIKeyBAKSNXPRPLSJAY-UHFFFAOYSA-N
MW351.77 g/mol
LogP4.39
Rot. Bonds3

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

2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 4135604) has the molecular formula C15H8ClF2N3OS and a molecular weight of 351.77 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID4135604
Molecular FormulaC15H8ClF2N3OS
Molecular Weight351.77 g/mol
Exact Mass351.00
IUPAC Name2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccnc1Cl
InChIInChI=1S/C15H8ClF2N3OS/c16-13-10(2-1-5-19-13)14(22)21-15-20-12(7-23-15)9-4-3-8(17)6-11(9)18/h1-7H,(H,20,21,22)
InChIKeyBAKSNXPRPLSJAY-UHFFFAOYSA-N
XLogP4.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
2-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838906
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 17404608
2-chloro-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 134041379
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
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 4098660
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8839157
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38904720

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 4135604) is 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is BAKSNXPRPLSJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N3OS/c16-13-10(2-1-5-19-13)14(22)21-15-20-12(7-23-15)9-4-3-8(17)6-11(9)18/h1-7H,(H,20,21,22).
What are the key properties of 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 351.77 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 4135604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).