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

C15H23NOS — CID 65415632

IUPAC2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCC1CCCC(c2nc3c(s2)C(O)CCC3)C1
InChIInChI=1S/C15H23NOS/c1-2-10-5-3-6-11(9-10)15-16-12-7-4-8-13(17)14(12)18-15/h10-11,13,17H,2-9H2,1H3
InChIKeyPIDAMPNAWKUJBB-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.20
Rot. Bonds2

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

2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 65415632) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID65415632
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCC1CCCC(c2nc3c(s2)C(O)CCC3)C1
InChIInChI=1S/C15H23NOS/c1-2-10-5-3-6-11(9-10)15-16-12-7-4-8-13(17)14(12)18-15/h10-11,13,17H,2-9H2,1H3
InChIKeyPIDAMPNAWKUJBB-UHFFFAOYSA-N
XLogP4.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 65415632) is 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CCC1CCCC(c2nc3c(s2)C(O)CCC3)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is PIDAMPNAWKUJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-2-10-5-3-6-11(9-10)15-16-12-7-4-8-13(17)14(12)18-15/h10-11,13,17H,2-9H2,1H3.
What are the key properties of 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 265.42 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 65415632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).