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

C13H15NOS — CID 66460874

IUPAC2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol
SMILESCC1CC1C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C13H15NOS/c1-8-6-9(8)11(15)7-13-14-10-4-2-3-5-12(10)16-13/h2-5,8-9,11,15H,6-7H2,1H3
InChIKeyAFUYWYNPVLUFGU-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.86
Rot. Bonds3

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

2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol (PubChem CID 66460874) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol
PubChem CID66460874
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol
SMILESCC1CC1C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C13H15NOS/c1-8-6-9(8)11(15)7-13-14-10-4-2-3-5-12(10)16-13/h2-5,8-9,11,15H,6-7H2,1H3
InChIKeyAFUYWYNPVLUFGU-UHFFFAOYSA-N
XLogP2.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol
CID 107186155
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
1-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 79826149
3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
3-(1,3-benzothiazol-2-yl)-2-hydroxypropanal
CID 79819003
2-(2-chloropentyl)-1,3-benzothiazole
CID 63203228
1-(1,3-benzothiazol-2-yl)-4-methylpentan-3-ol
CID 104631696
2-(2-chloro-2-cyclopropylethyl)-1,3-benzothiazole
CID 63352973
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-ol
CID 115823008
3-(1,3-benzothiazol-2-yl)-1,1-diethoxypropan-2-ol
CID 79818770
(2R,3S)-3-[(2R)-1-(1,3-benzothiazol-2-yl)propan-2-yl]sulfanylbutan-2-ol
CID 96958224

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol (CID 66460874) is 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol is CC1CC1C(O)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol?
The InChIKey is AFUYWYNPVLUFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-8-6-9(8)11(15)7-13-14-10-4-2-3-5-12(10)16-13/h2-5,8-9,11,15H,6-7H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol?
2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol has a molecular weight of 233.34 g/mol, XLogP of 2.86, 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-methylcyclopropyl)ethanol is sourced from PubChem (CID 66460874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).