2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C13H19NOS — CID 65415633

IUPAC2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCC1CCC(c2nc3c(s2)C(O)CCC3)C1
InChIInChI=1S/C13H19NOS/c1-8-5-6-9(7-8)13-14-10-3-2-4-11(15)12(10)16-13/h8-9,11,15H,2-7H2,1H3
InChIKeyFFBHIANOBMTWKX-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.42
Rot. Bonds1

About 2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 65415633) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID65415633
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCC1CCC(c2nc3c(s2)C(O)CCC3)C1
InChIInChI=1S/C13H19NOS/c1-8-5-6-9(7-8)13-14-10-3-2-4-11(15)12(10)16-13/h8-9,11,15H,2-7H2,1H3
InChIKeyFFBHIANOBMTWKX-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 65415633) is 2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CC1CCC(c2nc3c(s2)C(O)CCC3)C1.
What is the InChIKey of 2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is FFBHIANOBMTWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-8-5-6-9(7-8)13-14-10-3-2-4-11(15)12(10)16-13/h8-9,11,15H,2-7H2,1H3.
What are the key properties of 2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 237.37 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 65415633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).