N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide

C17H19N3O2S2 — CID 169226580

IUPACN-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc2nc(C3=CCN=CC3)sc2c1
InChIInChI=1S/C17H19N3O2S2/c21-24(22,20-13-3-1-2-4-13)14-5-6-15-16(11-14)23-17(19-15)12-7-9-18-10-8-12/h5-7,10-11,13,20H,1-4,8-9H2
InChIKeyIDPYDKKMNNJRCS-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.38
Rot. Bonds4

About N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide

N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide (PubChem CID 169226580) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide
PubChem CID169226580
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC NameN-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc2nc(C3=CCN=CC3)sc2c1
InChIInChI=1S/C17H19N3O2S2/c21-24(22,20-13-3-1-2-4-13)14-5-6-15-16(11-14)23-17(19-15)12-7-9-18-10-8-12/h5-7,10-11,13,20H,1-4,8-9H2
InChIKeyIDPYDKKMNNJRCS-UHFFFAOYSA-N
XLogP3.38
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide 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-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682357
4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983360
N-cycloheptyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548526
N-cyclobutyl-2-(ethylamino)quinoline-6-sulfonamide
CID 62415031
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide
CID 110760236
N-(4,4-difluorocyclohexyl)-2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-benzothiazole-6-sulfonamide
CID 164875084
N-(1,3-benzothiazol-2-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide
CID 35998702
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 35998693
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide (CID 169226580) is N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide is O=S(=O)(NC1CCCC1)c1ccc2nc(C3=CCN=CC3)sc2c1.
What is the InChIKey of N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide?
The InChIKey is IDPYDKKMNNJRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c21-24(22,20-13-3-1-2-4-13)14-5-6-15-16(11-14)23-17(19-15)12-7-9-18-10-8-12/h5-7,10-11,13,20H,1-4,8-9H2.
What are the key properties of N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide?
N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide has a molecular weight of 361.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,5-dihydropyridin-4-yl)-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 169226580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).