3-cyclohexyl-1,2-benzothiazol-6-ol

C13H15NOS — CID 135736098

IUPAC3-cyclohexyl-1,2-benzothiazol-6-ol
SMILESOc1ccc2c(C3CCCCC3)nsc2c1
InChIInChI=1S/C13H15NOS/c15-10-6-7-11-12(8-10)16-14-13(11)9-4-2-1-3-5-9/h6-9,15H,1-5H2
InChIKeyNRJYKUYSYPKAOA-UHFFFAOYSA-N
MW233.34 g/mol
LogP4.05
Rot. Bonds1

About 3-cyclohexyl-1,2-benzothiazol-6-ol

3-cyclohexyl-1,2-benzothiazol-6-ol (PubChem CID 135736098) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-cyclohexyl-1,2-benzothiazol-6-ol.

Molecular Properties

Compound Name3-cyclohexyl-1,2-benzothiazol-6-ol
PubChem CID135736098
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name3-cyclohexyl-1,2-benzothiazol-6-ol
SMILESOc1ccc2c(C3CCCCC3)nsc2c1
InChIInChI=1S/C13H15NOS/c15-10-6-7-11-12(8-10)16-14-13(11)9-4-2-1-3-5-9/h6-9,15H,1-5H2
InChIKeyNRJYKUYSYPKAOA-UHFFFAOYSA-N
XLogP4.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Benzisothiazol-6-ol
CID 135742002
3-Methylbenzo[d]isothiazol-5-ol
CID 12607084
3-(4-Methoxyphenyl)-1,2-benzothiazole
CID 102173718
Trifluoro-methanesulfonic acid 3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl ester
CID 57428077
3-(4-Fluoro-phenyl)-benzo[d]isothiazol-6-ol
CID 135847953
3-(4-Trifluoromethyl-phenyl)-benzo[d]isothiazol-6-ol
CID 135847955
7-Bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol
CID 173447118
[3-[4-(Trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl] methanesulfonate
CID 174427528
3-Phenyl-1,2-benzothiazol-5-ol
CID 85563925
6-Methoxy-3-phenyl-1,2-benzothiazole
CID 146163286
3-(Fluoromethyl)-1,2-benzothiazol-5-ol
CID 84658972
3-(Fluoromethyl)-1,2-benzothiazol-7-ol
CID 84658974

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,2-benzothiazol-6-ol?
The IUPAC name of 3-cyclohexyl-1,2-benzothiazol-6-ol (CID 135736098) is 3-cyclohexyl-1,2-benzothiazol-6-ol.
What is the SMILES notation for 3-cyclohexyl-1,2-benzothiazol-6-ol?
The canonical SMILES for 3-cyclohexyl-1,2-benzothiazol-6-ol is Oc1ccc2c(C3CCCCC3)nsc2c1.
What is the InChIKey of 3-cyclohexyl-1,2-benzothiazol-6-ol?
The InChIKey is NRJYKUYSYPKAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c15-10-6-7-11-12(8-10)16-14-13(11)9-4-2-1-3-5-9/h6-9,15H,1-5H2.
What are the key properties of 3-cyclohexyl-1,2-benzothiazol-6-ol?
3-cyclohexyl-1,2-benzothiazol-6-ol has a molecular weight of 233.34 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,2-benzothiazol-6-ol is sourced from PubChem (CID 135736098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).