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

C14H21NOS — CID 62089734

IUPAC2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCC1CCC(c2nc3c(s2)C(O)CCC3)CC1
InChIInChI=1S/C14H21NOS/c1-9-5-7-10(8-6-9)14-15-11-3-2-4-12(16)13(11)17-14/h9-10,12,16H,2-8H2,1H3
InChIKeyDKZATWCLDLKGAG-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.81
Rot. Bonds1

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

2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62089734) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62089734
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCC1CCC(c2nc3c(s2)C(O)CCC3)CC1
InChIInChI=1S/C14H21NOS/c1-9-5-7-10(8-6-9)14-15-11-3-2-4-12(16)13(11)17-14/h9-10,12,16H,2-8H2,1H3
InChIKeyDKZATWCLDLKGAG-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62089734) is 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CC1CCC(c2nc3c(s2)C(O)CCC3)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is DKZATWCLDLKGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-9-5-7-10(8-6-9)14-15-11-3-2-4-12(16)13(11)17-14/h9-10,12,16H,2-8H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 251.39 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62089734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).