3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide

C11H10N2O2S — CID 3358220

IUPAC3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1cnc(NC(=O)C=Cc2ccco2)s1
InChIInChI=1S/C11H10N2O2S/c1-8-7-12-11(16-8)13-10(14)5-4-9-3-2-6-15-9/h2-7H,1H3,(H,12,13,14)
InChIKeyWXHNWRSVJRWAET-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.70
Rot. Bonds3

About 3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide

3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 3358220) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID3358220
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1cnc(NC(=O)C=Cc2ccco2)s1
InChIInChI=1S/C11H10N2O2S/c1-8-7-12-11(16-8)13-10(14)5-4-9-3-2-6-15-9/h2-7H,1H3,(H,12,13,14)
InChIKeyWXHNWRSVJRWAET-UHFFFAOYSA-N
XLogP2.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide (CID 3358220) is 3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide is Cc1cnc(NC(=O)C=Cc2ccco2)s1.
What is the InChIKey of 3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is WXHNWRSVJRWAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-8-7-12-11(16-8)13-10(14)5-4-9-3-2-6-15-9/h2-7H,1H3,(H,12,13,14).
What are the key properties of 3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 234.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 3358220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).