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

C24H19N3O2S — CID 2463728

IUPAC4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C24H19N3O2S/c1-16(28)25-21-13-11-20(12-14-21)23(29)27-24-26-22(15-30-24)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,25,28)(H,26,27,29)
InChIKeyLOZQWMZOLAWHJU-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.69
Rot. Bonds5

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

4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 2463728) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID2463728
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C24H19N3O2S/c1-16(28)25-21-13-11-20(12-14-21)23(29)27-24-26-22(15-30-24)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,25,28)(H,26,27,29)
InChIKeyLOZQWMZOLAWHJU-UHFFFAOYSA-N
XLogP5.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.69
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-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide
CID 52694784
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide
CID 2441454
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 38040917
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-acetamidobenzoate
CID 16520816

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide (CID 2463728) is 4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1.
What is the InChIKey of 4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is LOZQWMZOLAWHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-16(28)25-21-13-11-20(12-14-21)23(29)27-24-26-22(15-30-24)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,25,28)(H,26,27,29).
What are the key properties of 4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 413.50 g/mol, XLogP of 5.69, 5 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-phenylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2463728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).