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

C9H13NOS — CID 12992811

IUPAC1-(1,3-thiazol-2-yl)cyclohexan-1-ol
SMILESOC1(c2nccs2)CCCCC1
InChIInChI=1S/C9H13NOS/c11-9(4-2-1-3-5-9)8-10-6-7-12-8/h6-7,11H,1-5H2
InChIKeyBOXJDMBKFGWYJM-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.29
Rot. Bonds1

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

1-(1,3-thiazol-2-yl)cyclohexan-1-ol (PubChem CID 12992811) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)cyclohexan-1-ol
PubChem CID12992811
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-(1,3-thiazol-2-yl)cyclohexan-1-ol
SMILESOC1(c2nccs2)CCCCC1
InChIInChI=1S/C9H13NOS/c11-9(4-2-1-3-5-9)8-10-6-7-12-8/h6-7,11H,1-5H2
InChIKeyBOXJDMBKFGWYJM-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(1,3-thiazol-2-yl)cyclohexan-1-ol (CID 12992811) is 1-(1,3-thiazol-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(1,3-thiazol-2-yl)cyclohexan-1-ol is OC1(c2nccs2)CCCCC1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)cyclohexan-1-ol?
The InChIKey is BOXJDMBKFGWYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c11-9(4-2-1-3-5-9)8-10-6-7-12-8/h6-7,11H,1-5H2.
What are the key properties of 1-(1,3-thiazol-2-yl)cyclohexan-1-ol?
1-(1,3-thiazol-2-yl)cyclohexan-1-ol has a molecular weight of 183.28 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 12992811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).