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

C14H21NOS — CID 65404432

IUPAC2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCC1CCC(c2nc3c(s2)CCCC3O)C1
InChIInChI=1S/C14H21NOS/c1-2-9-6-7-10(8-9)14-15-13-11(16)4-3-5-12(13)17-14/h9-11,16H,2-8H2,1H3
InChIKeyIZPKRSDWDIERMI-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.81
Rot. Bonds2

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

2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 65404432) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID65404432
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCC1CCC(c2nc3c(s2)CCCC3O)C1
InChIInChI=1S/C14H21NOS/c1-2-9-6-7-10(8-9)14-15-13-11(16)4-3-5-12(13)17-14/h9-11,16H,2-8H2,1H3
InChIKeyIZPKRSDWDIERMI-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 65404432) is 2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CCC1CCC(c2nc3c(s2)CCCC3O)C1.
What is the InChIKey of 2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is IZPKRSDWDIERMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-9-6-7-10(8-9)14-15-13-11(16)4-3-5-12(13)17-14/h9-11,16H,2-8H2,1H3.
What are the key properties of 2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 251.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 65404432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).