N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide

C14H17N3O2S2 — CID 63115305

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide
SMILESNc1ccc2nc(NC(=O)CS(=O)C3CCCC3)sc2c1
InChIInChI=1S/C14H17N3O2S2/c15-9-5-6-11-12(7-9)20-14(16-11)17-13(18)8-21(19)10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17,18)
InChIKeyOPNUJVHWDABWHW-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.51
Rot. Bonds4

About N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide

N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide (PubChem CID 63115305) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide
PubChem CID63115305
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide
SMILESNc1ccc2nc(NC(=O)CS(=O)C3CCCC3)sc2c1
InChIInChI=1S/C14H17N3O2S2/c15-9-5-6-11-12(7-9)20-14(16-11)17-13(18)8-21(19)10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17,18)
InChIKeyOPNUJVHWDABWHW-UHFFFAOYSA-N
XLogP2.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-2-butylsulfinylacetamide
CID 61287847
N-(6-amino-1,3-benzothiazol-2-yl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288036
N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide
CID 62115980
N-(6-amino-1,3-benzothiazol-2-yl)-4-methylsulfinylbutanamide
CID 61288878
N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide
CID 28535611
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43081339
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60974238
2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine
CID 61368635
N-(6-amino-1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropanamide
CID 29295136
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161486
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpropylsulfanyl)propanamide
CID 43125824

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide (CID 63115305) is N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide is Nc1ccc2nc(NC(=O)CS(=O)C3CCCC3)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide?
The InChIKey is OPNUJVHWDABWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c15-9-5-6-11-12(7-9)20-14(16-11)17-13(18)8-21(19)10-3-1-2-4-10/h5-7,10H,1-4,8,15H2,(H,16,17,18).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide has a molecular weight of 323.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide is sourced from PubChem (CID 63115305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).