3-(1,3-thiazol-2-yl)cyclohexan-1-ol

C9H13NOS — CID 67258389

IUPAC3-(1,3-thiazol-2-yl)cyclohexan-1-ol
SMILESOC1CCCC(c2nccs2)C1
InChIInChI=1S/C9H13NOS/c11-8-3-1-2-7(6-8)9-10-4-5-12-9/h4-5,7-8,11H,1-3,6H2
InChIKeyQLTJFYWDTCHOQG-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.16
Rot. Bonds1

About 3-(1,3-thiazol-2-yl)cyclohexan-1-ol

3-(1,3-thiazol-2-yl)cyclohexan-1-ol (PubChem CID 67258389) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)cyclohexan-1-ol
PubChem CID67258389
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name3-(1,3-thiazol-2-yl)cyclohexan-1-ol
SMILESOC1CCCC(c2nccs2)C1
InChIInChI=1S/C9H13NOS/c11-8-3-1-2-7(6-8)9-10-4-5-12-9/h4-5,7-8,11H,1-3,6H2
InChIKeyQLTJFYWDTCHOQG-UHFFFAOYSA-N
XLogP2.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)cyclohexan-1-ol?
The IUPAC name of 3-(1,3-thiazol-2-yl)cyclohexan-1-ol (CID 67258389) is 3-(1,3-thiazol-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)cyclohexan-1-ol?
The canonical SMILES for 3-(1,3-thiazol-2-yl)cyclohexan-1-ol is OC1CCCC(c2nccs2)C1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)cyclohexan-1-ol?
The InChIKey is QLTJFYWDTCHOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c11-8-3-1-2-7(6-8)9-10-4-5-12-9/h4-5,7-8,11H,1-3,6H2.
What are the key properties of 3-(1,3-thiazol-2-yl)cyclohexan-1-ol?
3-(1,3-thiazol-2-yl)cyclohexan-1-ol has a molecular weight of 183.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 67258389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).