3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal

C11H11NO2S — CID 82040279

IUPAC3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal
SMILESCc1csc(C(C=O)Cc2ccco2)n1
InChIInChI=1S/C11H11NO2S/c1-8-7-15-11(12-8)9(6-13)5-10-3-2-4-14-10/h2-4,6-7,9H,5H2,1H3
InChIKeyVOMQUGUJUPTEDG-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.57
Rot. Bonds4

About 3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal

3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal (PubChem CID 82040279) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal
PubChem CID82040279
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal
SMILESCc1csc(C(C=O)Cc2ccco2)n1
InChIInChI=1S/C11H11NO2S/c1-8-7-15-11(12-8)9(6-13)5-10-3-2-4-14-10/h2-4,6-7,9H,5H2,1H3
InChIKeyVOMQUGUJUPTEDG-UHFFFAOYSA-N
XLogP2.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal?
The IUPAC name of 3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal (CID 82040279) is 3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal.
What is the SMILES notation for 3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal?
The canonical SMILES for 3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal is Cc1csc(C(C=O)Cc2ccco2)n1.
What is the InChIKey of 3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal?
The InChIKey is VOMQUGUJUPTEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-8-7-15-11(12-8)9(6-13)5-10-3-2-4-14-10/h2-4,6-7,9H,5H2,1H3.
What are the key properties of 3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal?
3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal has a molecular weight of 221.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal is sourced from PubChem (CID 82040279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).