3-(1,3-thiazol-2-yl)propanal;hydrobromide

C6H8BrNOS — CID 87751457

IUPAC3-(1,3-thiazol-2-yl)propanal;hydrobromide
SMILESBr.O=CCCc1nccs1
InChIInChI=1S/C6H7NOS.BrH/c8-4-1-2-6-7-3-5-9-6;/h3-5H,1-2H2;1H
InChIKeyGIXARWYWWCFBFM-UHFFFAOYSA-N
MW222.11 g/mol
LogP1.85
Rot. Bonds3

About 3-(1,3-thiazol-2-yl)propanal;hydrobromide

3-(1,3-thiazol-2-yl)propanal;hydrobromide (PubChem CID 87751457) has the molecular formula C6H8BrNOS and a molecular weight of 222.11 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)propanal;hydrobromide.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)propanal;hydrobromide
PubChem CID87751457
Molecular FormulaC6H8BrNOS
Molecular Weight222.11 g/mol
Exact Mass220.95
IUPAC Name3-(1,3-thiazol-2-yl)propanal;hydrobromide
SMILESBr.O=CCCc1nccs1
InChIInChI=1S/C6H7NOS.BrH/c8-4-1-2-6-7-3-5-9-6;/h3-5H,1-2H2;1H
InChIKeyGIXARWYWWCFBFM-UHFFFAOYSA-N
XLogP1.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)propanal;hydrobromide?
The IUPAC name of 3-(1,3-thiazol-2-yl)propanal;hydrobromide (CID 87751457) is 3-(1,3-thiazol-2-yl)propanal;hydrobromide.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)propanal;hydrobromide?
The canonical SMILES for 3-(1,3-thiazol-2-yl)propanal;hydrobromide is Br.O=CCCc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)propanal;hydrobromide?
The InChIKey is GIXARWYWWCFBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS.BrH/c8-4-1-2-6-7-3-5-9-6;/h3-5H,1-2H2;1H.
What are the key properties of 3-(1,3-thiazol-2-yl)propanal;hydrobromide?
3-(1,3-thiazol-2-yl)propanal;hydrobromide has a molecular weight of 222.11 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)propanal;hydrobromide is sourced from PubChem (CID 87751457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).