3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C15H7Cl2F2N3OS — CID 26176305

IUPAC3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H7Cl2F2N3OS/c16-8-2-4-12(17)21-13(8)14(23)22-15-20-11(6-24-15)7-1-3-9(18)10(19)5-7/h1-6H,(H,20,22,23)
InChIKeyMXGOIRVUJILVGO-UHFFFAOYSA-N
MW386.21 g/mol
LogP5.04
Rot. Bonds3

About 3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 26176305) has the molecular formula C15H7Cl2F2N3OS and a molecular weight of 386.21 g/mol. Its IUPAC name is 3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID26176305
Molecular FormulaC15H7Cl2F2N3OS
Molecular Weight386.21 g/mol
Exact Mass384.97
IUPAC Name3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H7Cl2F2N3OS/c16-8-2-4-12(17)21-13(8)14(23)22-15-20-11(6-24-15)7-1-3-9(18)10(19)5-7/h1-6H,(H,20,22,23)
InChIKeyMXGOIRVUJILVGO-UHFFFAOYSA-N
XLogP5.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.21
LogP ≤ 55.04
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

5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 62045979
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 8801425
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
4-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 47026194
3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 32869142
2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5121730
5-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 3998198
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8565270

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 26176305) is 3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is MXGOIRVUJILVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F2N3OS/c16-8-2-4-12(17)21-13(8)14(23)22-15-20-11(6-24-15)7-1-3-9(18)10(19)5-7/h1-6H,(H,20,22,23).
What are the key properties of 3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 386.21 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 26176305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).