1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol

C15H19NOS — CID 79818993

IUPAC1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C15H19NOS/c1-11-6-8-15(17,9-7-11)10-14-16-12-4-2-3-5-13(12)18-14/h2-5,11,17H,6-10H2,1H3
InChIKeyOTDMBHDKNADBJW-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.78
Rot. Bonds2

About 1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol

1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol (PubChem CID 79818993) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
PubChem CID79818993
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C15H19NOS/c1-11-6-8-15(17,9-7-11)10-14-16-12-4-2-3-5-13(12)18-14/h2-5,11,17H,6-10H2,1H3
InChIKeyOTDMBHDKNADBJW-UHFFFAOYSA-N
XLogP3.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol
CID 103564355
1-(1,3-benzothiazol-2-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 79818593
4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
CID 79818430
4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol
CID 79818587
1-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]-4-methylcyclohexan-1-ol
CID 65117649
3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol
CID 116539918
1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclohexane-1-carbonitrile
CID 104632302
1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65111068
1-(1,3-benzothiazol-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 104632347
[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
CID 104631899
2-(1,3-benzothiazol-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749606

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol (CID 79818993) is 1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol is CC1CCC(O)(Cc2nc3ccccc3s2)CC1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol?
The InChIKey is OTDMBHDKNADBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11-6-8-15(17,9-7-11)10-14-16-12-4-2-3-5-13(12)18-14/h2-5,11,17H,6-10H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol?
1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 79818993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).