2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol

C15H19NOS — CID 107186155

IUPAC2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol
SMILESCC1CCCC1C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C15H19NOS/c1-10-5-4-6-11(10)13(17)9-15-16-12-7-2-3-8-14(12)18-15/h2-3,7-8,10-11,13,17H,4-6,9H2,1H3
InChIKeyOPKDWOCJHKSNMN-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.64
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol

2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol (PubChem CID 107186155) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol
PubChem CID107186155
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol
SMILESCC1CCCC1C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C15H19NOS/c1-10-5-4-6-11(10)13(17)9-15-16-12-7-2-3-8-14(12)18-15/h2-3,7-8,10-11,13,17H,4-6,9H2,1H3
InChIKeyOPKDWOCJHKSNMN-UHFFFAOYSA-N
XLogP3.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol
CID 66460874
1-(2-methylcyclopentyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 107192609
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine
CID 43118643
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107417972
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
2-(2-chloro-2-cyclopropylethyl)-1,3-benzothiazole
CID 63352973
1-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 79826149
3-(1,3-benzothiazol-2-yl)-1,1-diethoxypropan-2-ol
CID 79818770
3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
CID 79818993
2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79973010

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol (CID 107186155) is 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol is CC1CCCC1C(O)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol?
The InChIKey is OPKDWOCJHKSNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-5-4-6-11(10)13(17)9-15-16-12-7-2-3-8-14(12)18-15/h2-3,7-8,10-11,13,17H,4-6,9H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol?
2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol has a molecular weight of 261.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol is sourced from PubChem (CID 107186155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).