2-cyclopentyl-1,3-benzothiazol-7-amine

C12H14N2S — CID 82230829

IUPAC2-cyclopentyl-1,3-benzothiazol-7-amine
SMILESNc1cccc2nc(C3CCCC3)sc12
InChIInChI=1S/C12H14N2S/c13-9-6-3-7-10-11(9)15-12(14-10)8-4-1-2-5-8/h3,6-8H,1-2,4-5,13H2
InChIKeyUCFKDGOWRJFDID-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.54
Rot. Bonds1

About 2-cyclopentyl-1,3-benzothiazol-7-amine

2-cyclopentyl-1,3-benzothiazol-7-amine (PubChem CID 82230829) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-cyclopentyl-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-cyclopentyl-1,3-benzothiazol-7-amine
PubChem CID82230829
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2-cyclopentyl-1,3-benzothiazol-7-amine
SMILESNc1cccc2nc(C3CCCC3)sc12
InChIInChI=1S/C12H14N2S/c13-9-6-3-7-10-11(9)15-12(14-10)8-4-1-2-5-8/h3,6-8H,1-2,4-5,13H2
InChIKeyUCFKDGOWRJFDID-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopentyl-1,3-benzothiazol-7-amine?
The IUPAC name of 2-cyclopentyl-1,3-benzothiazol-7-amine (CID 82230829) is 2-cyclopentyl-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-cyclopentyl-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-cyclopentyl-1,3-benzothiazol-7-amine is Nc1cccc2nc(C3CCCC3)sc12.
What is the InChIKey of 2-cyclopentyl-1,3-benzothiazol-7-amine?
The InChIKey is UCFKDGOWRJFDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c13-9-6-3-7-10-11(9)15-12(14-10)8-4-1-2-5-8/h3,6-8H,1-2,4-5,13H2.
What are the key properties of 2-cyclopentyl-1,3-benzothiazol-7-amine?
2-cyclopentyl-1,3-benzothiazol-7-amine has a molecular weight of 218.32 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,3-benzothiazol-7-amine is sourced from PubChem (CID 82230829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).