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

C22H16FN3OS2 — CID 55990597

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1cccnc1SCc1ccc(F)cc1
InChIInChI=1S/C22H16FN3OS2/c23-17-8-6-15(7-9-17)14-29-22-19(5-2-10-24-22)20(27)26-18-4-1-3-16(13-18)21-25-11-12-28-21/h1-13H,14H2,(H,26,27)
InChIKeyXBUGILVSHWOUAF-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.89
Rot. Bonds6

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

2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 55990597) has the molecular formula C22H16FN3OS2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID55990597
Molecular FormulaC22H16FN3OS2
Molecular Weight421.52 g/mol
Exact Mass421.07
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1cccnc1SCc1ccc(F)cc1
InChIInChI=1S/C22H16FN3OS2/c23-17-8-6-15(7-9-17)14-29-22-19(5-2-10-24-22)20(27)26-18-4-1-3-16(13-18)21-25-11-12-28-21/h1-13H,14H2,(H,26,27)
InChIKeyXBUGILVSHWOUAF-UHFFFAOYSA-N
XLogP5.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55760593
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 61040465
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]pyridine-3-carboxamide
CID 55760209
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide
CID 75397989
N-(5-acetamido-2-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55917121
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093756
N-(3-propan-2-yloxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093989
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 16549241
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 75468300
2-[(4-fluorophenyl)methylsulfanyl]-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 60543467
2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 17487764
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685528

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide (CID 55990597) is 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(-c2nccs2)c1)c1cccnc1SCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is XBUGILVSHWOUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3OS2/c23-17-8-6-15(7-9-17)14-29-22-19(5-2-10-24-22)20(27)26-18-4-1-3-16(13-18)21-25-11-12-28-21/h1-13H,14H2,(H,26,27).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55990597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).