N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide

C21H16N2OS2 — CID 5211016

IUPACN-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1nc2ccccc2s1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2OS2/c24-20(23-21-22-17-13-7-8-14-18(17)26-21)19(15-9-3-1-4-10-15)25-16-11-5-2-6-12-16/h1-14,19H,(H,22,23,24)
InChIKeyPJLAOXCSUGQZFY-UHFFFAOYSA-N
MW376.51 g/mol
LogP5.77
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 5211016) has the molecular formula C21H16N2OS2 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID5211016
Molecular FormulaC21H16N2OS2
Molecular Weight376.51 g/mol
Exact Mass376.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1nc2ccccc2s1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2OS2/c24-20(23-21-22-17-13-7-8-14-18(17)26-21)19(15-9-3-1-4-10-15)25-16-11-5-2-6-12-16/h1-14,19H,(H,22,23,24)
InChIKeyPJLAOXCSUGQZFY-UHFFFAOYSA-N
XLogP5.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.51
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22785128
(2S)-N-(1,3-benzothiazol-2-yl)-2-phenylsulfanylpropanamide
CID 8882295
N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 23098492
N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 21168997
2-(3-acetamidophenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 18912331
N-(1,3-benzothiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712329
[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 2933835
N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 57299473
N-[(Z)-3-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 19714921
N-[(Z)-3-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]sulfanylanilino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19714237
N-[(E)-3-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]sulfanylanilino]-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19319083
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide (CID 5211016) is N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide is O=C(Nc1nc2ccccc2s1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is PJLAOXCSUGQZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS2/c24-20(23-21-22-17-13-7-8-14-18(17)26-21)19(15-9-3-1-4-10-15)25-16-11-5-2-6-12-16/h1-14,19H,(H,22,23,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 376.51 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 5211016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).