N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide

C23H19FN4O2S — CID 56555447

IUPACN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide
SMILESCCOc1ccccc1-c1csc(NC(=O)c2cccnc2Nc2cccc(F)c2)n1
InChIInChI=1S/C23H19FN4O2S/c1-2-30-20-11-4-3-9-17(20)19-14-31-23(27-19)28-22(29)18-10-6-12-25-21(18)26-16-8-5-7-15(24)13-16/h3-14H,2H2,1H3,(H,25,26)(H,27,28,29)
InChIKeyFLKJHLSIXMTQFY-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.74
Rot. Bonds7

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

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide (PubChem CID 56555447) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide
PubChem CID56555447
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide
SMILESCCOc1ccccc1-c1csc(NC(=O)c2cccnc2Nc2cccc(F)c2)n1
InChIInChI=1S/C23H19FN4O2S/c1-2-30-20-11-4-3-9-17(20)19-14-31-23(27-19)28-22(29)18-10-6-12-25-21(18)26-16-8-5-7-15(24)13-16/h3-14H,2H2,1H3,(H,25,26)(H,27,28,29)
InChIKeyFLKJHLSIXMTQFY-UHFFFAOYSA-N
XLogP5.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)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

3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 86948216
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 1220261
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328
2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46978469
2-(3-fluoroanilino)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 86896790
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide (CID 56555447) is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide is CCOc1ccccc1-c1csc(NC(=O)c2cccnc2Nc2cccc(F)c2)n1.
What is the InChIKey of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is FLKJHLSIXMTQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c1-2-30-20-11-4-3-9-17(20)19-14-31-23(27-19)28-22(29)18-10-6-12-25-21(18)26-16-8-5-7-15(24)13-16/h3-14H,2H2,1H3,(H,25,26)(H,27,28,29).
What are the key properties of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide?
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 56555447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).