3-(5-methyl-1,2-thiazol-3-yl)propanal

C7H9NOS — CID 175767773

IUPAC3-(5-methyl-1,2-thiazol-3-yl)propanal
SMILESCc1cc(CCC=O)ns1
InChIInChI=1S/C7H9NOS/c1-6-5-7(8-10-6)3-2-4-9/h4-5H,2-3H2,1H3
InChIKeyUCCSOJCCMATKNQ-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.58
Rot. Bonds3

About 3-(5-methyl-1,2-thiazol-3-yl)propanal

3-(5-methyl-1,2-thiazol-3-yl)propanal (PubChem CID 175767773) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 3-(5-methyl-1,2-thiazol-3-yl)propanal.

Molecular Properties

Compound Name3-(5-methyl-1,2-thiazol-3-yl)propanal
PubChem CID175767773
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name3-(5-methyl-1,2-thiazol-3-yl)propanal
SMILESCc1cc(CCC=O)ns1
InChIInChI=1S/C7H9NOS/c1-6-5-7(8-10-6)3-2-4-9/h4-5H,2-3H2,1H3
InChIKeyUCCSOJCCMATKNQ-UHFFFAOYSA-N
XLogP1.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-methyl-1,2-thiazol-3-yl)propanal 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-(5-methyl-1,2-thiazol-3-yl)propanal?
The IUPAC name of 3-(5-methyl-1,2-thiazol-3-yl)propanal (CID 175767773) is 3-(5-methyl-1,2-thiazol-3-yl)propanal.
What is the SMILES notation for 3-(5-methyl-1,2-thiazol-3-yl)propanal?
The canonical SMILES for 3-(5-methyl-1,2-thiazol-3-yl)propanal is Cc1cc(CCC=O)ns1.
What is the InChIKey of 3-(5-methyl-1,2-thiazol-3-yl)propanal?
The InChIKey is UCCSOJCCMATKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-6-5-7(8-10-6)3-2-4-9/h4-5H,2-3H2,1H3.
What are the key properties of 3-(5-methyl-1,2-thiazol-3-yl)propanal?
3-(5-methyl-1,2-thiazol-3-yl)propanal has a molecular weight of 155.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2-thiazol-3-yl)propanal is sourced from PubChem (CID 175767773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).