N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

C17H21N3O2S2 — CID 3239004

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESCn1/c(=N/C(=O)CSCC(=O)N2CCCCC2)sc2ccccc21
InChIInChI=1S/C17H21N3O2S2/c1-19-13-7-3-4-8-14(13)24-17(19)18-15(21)11-23-12-16(22)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3/b18-17-
InChIKeyVGUDSSBAIQAOSV-ZCXUNETKSA-N
MW363.51 g/mol
LogP2.41
Rot. Bonds4

About N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (PubChem CID 3239004) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
PubChem CID3239004
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESCn1/c(=N/C(=O)CSCC(=O)N2CCCCC2)sc2ccccc21
InChIInChI=1S/C17H21N3O2S2/c1-19-13-7-3-4-8-14(13)24-17(19)18-15(21)11-23-12-16(22)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3/b18-17-
InChIKeyVGUDSSBAIQAOSV-ZCXUNETKSA-N
XLogP2.41
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (CID 3239004) is N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is Cn1/c(=N/C(=O)CSCC(=O)N2CCCCC2)sc2ccccc21.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The InChIKey is VGUDSSBAIQAOSV-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-19-13-7-3-4-8-14(13)24-17(19)18-15(21)11-23-12-16(22)20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-12H2,1H3/b18-17-.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide has a molecular weight of 363.51 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is sourced from PubChem (CID 3239004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).