4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol

C9H11NO2S — CID 130593139

IUPAC4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol
SMILESCOc1ncc(C#CC(C)(C)O)s1
InChIInChI=1S/C9H11NO2S/c1-9(2,11)5-4-7-6-10-8(12-3)13-7/h6,11H,1-3H3
InChIKeyIEEWWGAKLZEKJF-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.27
Rot. Bonds1

About 4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol

4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol (PubChem CID 130593139) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol
PubChem CID130593139
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol
SMILESCOc1ncc(C#CC(C)(C)O)s1
InChIInChI=1S/C9H11NO2S/c1-9(2,11)5-4-7-6-10-8(12-3)13-7/h6,11H,1-3H3
InChIKeyIEEWWGAKLZEKJF-UHFFFAOYSA-N
XLogP1.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.27
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 4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol (CID 130593139) is 4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol is COc1ncc(C#CC(C)(C)O)s1.
What is the InChIKey of 4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol?
The InChIKey is IEEWWGAKLZEKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-9(2,11)5-4-7-6-10-8(12-3)13-7/h6,11H,1-3H3.
What are the key properties of 4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol?
4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol has a molecular weight of 197.26 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-1,3-thiazol-5-yl)-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 130593139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).