2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide

C21H15FN4OS — CID 110492826

IUPAC2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)c1ccccc1F
InChIInChI=1S/C21H15FN4OS/c22-18-4-2-1-3-17(18)20(27)24-15-5-7-16(8-6-15)25-21-26-19(13-28-21)14-9-11-23-12-10-14/h1-13H,(H,24,27)(H,25,26)
InChIKeyQYFGCVGOHVZOQW-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.34
Rot. Bonds5

About 2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide

2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide (PubChem CID 110492826) has the molecular formula C21H15FN4OS and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
PubChem CID110492826
Molecular FormulaC21H15FN4OS
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)c1ccccc1F
InChIInChI=1S/C21H15FN4OS/c22-18-4-2-1-3-17(18)20(27)24-15-5-7-16(8-6-15)25-21-26-19(13-28-21)14-9-11-23-12-10-14/h1-13H,(H,24,27)(H,25,26)
InChIKeyQYFGCVGOHVZOQW-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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Related Compounds

2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 4034400
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide
CID 28865020
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 72720053
4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492839
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231442
3,5-dinitro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492904
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110492864
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
3-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]but-2-enamide
CID 110492935

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide (CID 110492826) is 2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide is O=C(Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
The InChIKey is QYFGCVGOHVZOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4OS/c22-18-4-2-1-3-17(18)20(27)24-15-5-7-16(8-6-15)25-21-26-19(13-28-21)14-9-11-23-12-10-14/h1-13H,(H,24,27)(H,25,26).
What are the key properties of 2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide 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-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 110492826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).