4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

C18H14FN3O2S — CID 2090772

IUPAC4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C18H14FN3O2S/c1-11(23)20-15-8-4-13(5-9-15)17(24)22-18-21-16(10-25-18)12-2-6-14(19)7-3-12/h2-10H,1H3,(H,20,23)(H,21,22,24)
InChIKeyAUJPZFXJBZPMFR-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.16
Rot. Bonds4

About 4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 2090772) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID2090772
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C18H14FN3O2S/c1-11(23)20-15-8-4-13(5-9-15)17(24)22-18-21-16(10-25-18)12-2-6-14(19)7-3-12/h2-10H,1H3,(H,20,23)(H,21,22,24)
InChIKeyAUJPZFXJBZPMFR-UHFFFAOYSA-N
XLogP4.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide
CID 2441454
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide
CID 52694784
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
(E)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 8502228
4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 4224045
4-(ethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 78828085
N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide
CID 110351853
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
methyl 4-[2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]benzoate
CID 121044368

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 2090772) is 4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is AUJPZFXJBZPMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c1-11(23)20-15-8-4-13(5-9-15)17(24)22-18-21-16(10-25-18)12-2-6-14(19)7-3-12/h2-10H,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 355.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2090772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).