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

C7H9NO2S — CID 130806565

IUPAC1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol
SMILESC=CC(O)c1cc(OC)ns1
InChIInChI=1S/C7H9NO2S/c1-3-5(9)6-4-7(10-2)8-11-6/h3-5,9H,1H2,2H3
InChIKeyWTRQFNZNRVEXBT-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.37
Rot. Bonds3

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

1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol (PubChem CID 130806565) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol
PubChem CID130806565
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol
SMILESC=CC(O)c1cc(OC)ns1
InChIInChI=1S/C7H9NO2S/c1-3-5(9)6-4-7(10-2)8-11-6/h3-5,9H,1H2,2H3
InChIKeyWTRQFNZNRVEXBT-UHFFFAOYSA-N
XLogP1.37
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol?
The IUPAC name of 1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol (CID 130806565) is 1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol is C=CC(O)c1cc(OC)ns1.
What is the InChIKey of 1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol?
The InChIKey is WTRQFNZNRVEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-3-5(9)6-4-7(10-2)8-11-6/h3-5,9H,1H2,2H3.
What are the key properties of 1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol?
1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol has a molecular weight of 171.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 130806565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).