2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol

C10H15NO2S — CID 130624314

IUPAC2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol
SMILESCOc1cc(C2CCCCC2O)sn1
InChIInChI=1S/C10H15NO2S/c1-13-10-6-9(14-11-10)7-4-2-3-5-8(7)12/h6-8,12H,2-5H2,1H3
InChIKeyVNCNOGHSUGVHDV-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.17
Rot. Bonds2

About 2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol

2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol (PubChem CID 130624314) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol
PubChem CID130624314
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol
SMILESCOc1cc(C2CCCCC2O)sn1
InChIInChI=1S/C10H15NO2S/c1-13-10-6-9(14-11-10)7-4-2-3-5-8(7)12/h6-8,12H,2-5H2,1H3
InChIKeyVNCNOGHSUGVHDV-UHFFFAOYSA-N
XLogP2.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol?
The IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol (CID 130624314) is 2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol is COc1cc(C2CCCCC2O)sn1.
What is the InChIKey of 2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol?
The InChIKey is VNCNOGHSUGVHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-13-10-6-9(14-11-10)7-4-2-3-5-8(7)12/h6-8,12H,2-5H2,1H3.
What are the key properties of 2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol?
2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol has a molecular weight of 213.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2-thiazol-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 130624314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).