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

C6H5NOS — CID 11571812

IUPAC3-(1,3-thiazol-2-yl)prop-2-yn-1-ol
SMILESOCC#Cc1nccs1
InChIInChI=1S/C6H5NOS/c8-4-1-2-6-7-3-5-9-6/h3,5,8H,4H2
InChIKeyRHFFTKFRGCOLOT-UHFFFAOYSA-N
MW139.18 g/mol
LogP0.49
Rot. Bonds

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

3-(1,3-thiazol-2-yl)prop-2-yn-1-ol (PubChem CID 11571812) has the molecular formula C6H5NOS and a molecular weight of 139.18 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)prop-2-yn-1-ol
PubChem CID11571812
Molecular FormulaC6H5NOS
Molecular Weight139.18 g/mol
Exact Mass139.01
IUPAC Name3-(1,3-thiazol-2-yl)prop-2-yn-1-ol
SMILESOCC#Cc1nccs1
InChIInChI=1S/C6H5NOS/c8-4-1-2-6-7-3-5-9-6/h3,5,8H,4H2
InChIKeyRHFFTKFRGCOLOT-UHFFFAOYSA-N
XLogP0.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,3-thiazol-2-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(1,3-thiazol-2-yl)prop-2-yn-1-ol (CID 11571812) is 3-(1,3-thiazol-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(1,3-thiazol-2-yl)prop-2-yn-1-ol is OCC#Cc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)prop-2-yn-1-ol?
The InChIKey is RHFFTKFRGCOLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NOS/c8-4-1-2-6-7-3-5-9-6/h3,5,8H,4H2.
What are the key properties of 3-(1,3-thiazol-2-yl)prop-2-yn-1-ol?
3-(1,3-thiazol-2-yl)prop-2-yn-1-ol has a molecular weight of 139.18 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 11571812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).