3-prop-2-enyl-1,2-thiazole

C6H7NS — CID 54286476

IUPAC3-prop-2-enyl-1,2-thiazole
SMILESC=CCc1ccsn1
InChIInChI=1S/C6H7NS/c1-2-3-6-4-5-8-7-6/h2,4-5H,1,3H2
InChIKeyMERBEIXFESUNSY-UHFFFAOYSA-N
MW125.20 g/mol
LogP1.87
Rot. Bonds2

About 3-prop-2-enyl-1,2-thiazole

3-prop-2-enyl-1,2-thiazole (PubChem CID 54286476) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 3-prop-2-enyl-1,2-thiazole.

Molecular Properties

Compound Name3-prop-2-enyl-1,2-thiazole
PubChem CID54286476
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name3-prop-2-enyl-1,2-thiazole
SMILESC=CCc1ccsn1
InChIInChI=1S/C6H7NS/c1-2-3-6-4-5-8-7-6/h2,4-5H,1,3H2
InChIKeyMERBEIXFESUNSY-UHFFFAOYSA-N
XLogP1.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-prop-2-enyl-1,2-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1,2-thiazole?
The IUPAC name of 3-prop-2-enyl-1,2-thiazole (CID 54286476) is 3-prop-2-enyl-1,2-thiazole.
What is the SMILES notation for 3-prop-2-enyl-1,2-thiazole?
The canonical SMILES for 3-prop-2-enyl-1,2-thiazole is C=CCc1ccsn1.
What is the InChIKey of 3-prop-2-enyl-1,2-thiazole?
The InChIKey is MERBEIXFESUNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c1-2-3-6-4-5-8-7-6/h2,4-5H,1,3H2.
What are the key properties of 3-prop-2-enyl-1,2-thiazole?
3-prop-2-enyl-1,2-thiazole has a molecular weight of 125.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1,2-thiazole is sourced from PubChem (CID 54286476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).