N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide

C17H16N2OS2 — CID 51207948

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCc1nc2ccccc2s1
InChIInChI=1S/C17H16N2OS2/c20-16(12-21-13-6-2-1-3-7-13)18-11-10-17-19-14-8-4-5-9-15(14)22-17/h1-9H,10-12H2,(H,18,20)
InChIKeyBOMXLUSQHVMEKO-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.75
Rot. Bonds6

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide (PubChem CID 51207948) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide
PubChem CID51207948
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCc1nc2ccccc2s1
InChIInChI=1S/C17H16N2OS2/c20-16(12-21-13-6-2-1-3-7-13)18-11-10-17-19-14-8-4-5-9-15(14)22-17/h1-9H,10-12H2,(H,18,20)
InChIKeyBOMXLUSQHVMEKO-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,3-benzothiazol-2-yl)ethyl]-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

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 51207979
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 51277052
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 18198533
2-amino-5-[2-(1,3-benzothiazol-2-yl)ethylamino]-5-oxopentanoic acid
CID 123251133
1,3-benzothiazol-2-ylmethyl 2-phenylsulfanylacetate
CID 78765396
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 9464682
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 51277050
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-propylsulfonylacetamide
CID 86832012
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 55386745
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide (CID 51207948) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCCc1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide?
The InChIKey is BOMXLUSQHVMEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c20-16(12-21-13-6-2-1-3-7-13)18-11-10-17-19-14-8-4-5-9-15(14)22-17/h1-9H,10-12H2,(H,18,20).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide has a molecular weight of 328.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 51207948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).