2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine

C12H14N2OS2 — CID 61368635

IUPAC2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(S(=O)C3CCCC3)sc2c1
InChIInChI=1S/C12H14N2OS2/c13-8-5-6-10-11(7-8)16-12(14-10)17(15)9-3-1-2-4-9/h5-7,9H,1-4,13H2
InChIKeyZVJLVYPCFYMKAU-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.93
Rot. Bonds2

About 2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine

2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine (PubChem CID 61368635) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine
PubChem CID61368635
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(S(=O)C3CCCC3)sc2c1
InChIInChI=1S/C12H14N2OS2/c13-8-5-6-10-11(7-8)16-12(14-10)17(15)9-3-1-2-4-9/h5-7,9H,1-4,13H2
InChIKeyZVJLVYPCFYMKAU-UHFFFAOYSA-N
XLogP2.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine?
The IUPAC name of 2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine (CID 61368635) is 2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine is Nc1ccc2nc(S(=O)C3CCCC3)sc2c1.
What is the InChIKey of 2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine?
The InChIKey is ZVJLVYPCFYMKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c13-8-5-6-10-11(7-8)16-12(14-10)17(15)9-3-1-2-4-9/h5-7,9H,1-4,13H2.
What are the key properties of 2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine?
2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine has a molecular weight of 266.39 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 61368635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).