2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one

C12H15NOS — CID 62078762

IUPAC2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESO=C1CCCc2nc(C3CCCC3)sc21
InChIInChI=1S/C12H15NOS/c14-10-7-3-6-9-11(10)15-12(13-9)8-4-1-2-5-8/h8H,1-7H2
InChIKeyUMLYHTWKEJHBAL-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.32
Rot. Bonds1

About 2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 62078762) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID62078762
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESO=C1CCCc2nc(C3CCCC3)sc21
InChIInChI=1S/C12H15NOS/c14-10-7-3-6-9-11(10)15-12(13-9)8-4-1-2-5-8/h8H,1-7H2
InChIKeyUMLYHTWKEJHBAL-UHFFFAOYSA-N
XLogP3.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 62078762) is 2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one is O=C1CCCc2nc(C3CCCC3)sc21.
What is the InChIKey of 2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is UMLYHTWKEJHBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c14-10-7-3-6-9-11(10)15-12(13-9)8-4-1-2-5-8/h8H,1-7H2.
What are the key properties of 2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 221.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 62078762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).