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

C22H15F2N3OS — CID 4034400

IUPAC2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(Nc3cccc(F)c3)n2)cc1)c1ccccc1F
InChIInChI=1S/C22H15F2N3OS/c23-15-4-3-5-17(12-15)26-22-27-20(13-29-22)14-8-10-16(11-9-14)25-21(28)18-6-1-2-7-19(18)24/h1-13H,(H,25,28)(H,26,27)
InChIKeyNKWYNPQSSHZVHW-UHFFFAOYSA-N
MW407.45 g/mol
LogP6.08
Rot. Bonds5

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

2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 4034400) has the molecular formula C22H15F2N3OS and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID4034400
Molecular FormulaC22H15F2N3OS
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(Nc3cccc(F)c3)n2)cc1)c1ccccc1F
InChIInChI=1S/C22H15F2N3OS/c23-15-4-3-5-17(12-15)26-22-27-20(13-29-22)14-8-10-16(11-9-14)25-21(28)18-6-1-2-7-19(18)24/h1-13H,(H,25,28)(H,26,27)
InChIKeyNKWYNPQSSHZVHW-UHFFFAOYSA-N
XLogP6.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492826
2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3950019
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-fluorobenzamide
CID 28865020
2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 72720053
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
CID 4997777
1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286299
2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4089252
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 4034400) is 2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide is O=C(Nc1ccc(-c2csc(Nc3cccc(F)c3)n2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is NKWYNPQSSHZVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3OS/c23-15-4-3-5-17(12-15)26-22-27-20(13-29-22)14-8-10-16(11-9-14)25-21(28)18-6-1-2-7-19(18)24/h1-13H,(H,25,28)(H,26,27).
What are the key properties of 2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 407.45 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 4034400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).