2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

C21H15FN4OS — CID 1251301

IUPAC2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1sc(Nc2ccccc2F)nc1-c1ccccc1
InChIInChI=1S/C21H15FN4OS/c22-16-10-4-5-11-17(16)25-21-26-18(14-7-2-1-3-8-14)19(28-21)20(27)24-15-9-6-12-23-13-15/h1-13H,(H,24,27)(H,25,26)
InChIKeyGCLFKPRTMFRCJN-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.34
Rot. Bonds5

About 2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 1251301) has the molecular formula C21H15FN4OS and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID1251301
Molecular FormulaC21H15FN4OS
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1sc(Nc2ccccc2F)nc1-c1ccccc1
InChIInChI=1S/C21H15FN4OS/c22-16-10-4-5-11-17(16)25-21-26-18(14-7-2-1-3-8-14)19(28-21)20(27)24-15-9-6-12-23-13-15/h1-13H,(H,24,27)(H,25,26)
InChIKeyGCLFKPRTMFRCJN-UHFFFAOYSA-N
XLogP5.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 1251301) is 2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is O=C(Nc1cccnc1)c1sc(Nc2ccccc2F)nc1-c1ccccc1.
What is the InChIKey of 2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GCLFKPRTMFRCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4OS/c22-16-10-4-5-11-17(16)25-21-26-18(14-7-2-1-3-8-14)19(28-21)20(27)24-15-9-6-12-23-13-15/h1-13H,(H,24,27)(H,25,26).
What are the key properties of 2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1251301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).