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

C10H13NO2S — CID 126999950

IUPAC3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
SMILESCOc1cc(C2=CC(O)CCC2)sn1
InChIInChI=1S/C10H13NO2S/c1-13-10-6-9(14-11-10)7-3-2-4-8(12)5-7/h5-6,8,12H,2-4H2,1H3
InChIKeyAXSWYZBHKZTMFO-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.08
Rot. Bonds2

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

3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol (PubChem CID 126999950) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
PubChem CID126999950
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
SMILESCOc1cc(C2=CC(O)CCC2)sn1
InChIInChI=1S/C10H13NO2S/c1-13-10-6-9(14-11-10)7-3-2-4-8(12)5-7/h5-6,8,12H,2-4H2,1H3
InChIKeyAXSWYZBHKZTMFO-UHFFFAOYSA-N
XLogP2.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
The IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol (CID 126999950) is 3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol is COc1cc(C2=CC(O)CCC2)sn1.
What is the InChIKey of 3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
The InChIKey is AXSWYZBHKZTMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-10-6-9(14-11-10)7-3-2-4-8(12)5-7/h5-6,8,12H,2-4H2,1H3.
What are the key properties of 3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol has a molecular weight of 211.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-thiazol-5-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 126999950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).