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

C7H7NO2S — CID 130647582

IUPAC3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol
SMILESCOc1cc(C#CCO)sn1
InChIInChI=1S/C7H7NO2S/c1-10-7-5-6(11-8-7)3-2-4-9/h5,9H,4H2,1H3
InChIKeyOFTPKPRCSYLBSG-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.50
Rot. Bonds1

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

3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol (PubChem CID 130647582) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol
PubChem CID130647582
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol
SMILESCOc1cc(C#CCO)sn1
InChIInChI=1S/C7H7NO2S/c1-10-7-5-6(11-8-7)3-2-4-9/h5,9H,4H2,1H3
InChIKeyOFTPKPRCSYLBSG-UHFFFAOYSA-N
XLogP0.50
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol (CID 130647582) is 3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol is COc1cc(C#CCO)sn1.
What is the InChIKey of 3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol?
The InChIKey is OFTPKPRCSYLBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-10-7-5-6(11-8-7)3-2-4-9/h5,9H,4H2,1H3.
What are the key properties of 3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol?
3-(3-methoxy-1,2-thiazol-5-yl)prop-2-yn-1-ol has a molecular weight of 169.20 g/mol, XLogP of 0.50, 1 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)prop-2-yn-1-ol is sourced from PubChem (CID 130647582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).