(E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one

C11H11NO2S — CID 11310590

IUPAC(E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one
SMILESC=C1SCCN1C(=O)/C=C/c1ccco1
InChIInChI=1S/C11H11NO2S/c1-9-12(6-8-15-9)11(13)5-4-10-3-2-7-14-10/h2-5,7H,1,6,8H2/b5-4+
InChIKeyVHYPFKPHRXOCMC-SNAWJCMRSA-N
MW221.28 g/mol
LogP2.34
Rot. Bonds2

About (E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one

(E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one (PubChem CID 11310590) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one
PubChem CID11310590
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name(E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one
SMILESC=C1SCCN1C(=O)/C=C/c1ccco1
InChIInChI=1S/C11H11NO2S/c1-9-12(6-8-15-9)11(13)5-4-10-3-2-7-14-10/h2-5,7H,1,6,8H2/b5-4+
InChIKeyVHYPFKPHRXOCMC-SNAWJCMRSA-N
XLogP2.34
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one
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1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
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(E)-1-(3-aminopiperidin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
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CID 59090942
CID 59090942
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one (CID 11310590) is (E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one is C=C1SCCN1C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one?
The InChIKey is VHYPFKPHRXOCMC-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-9-12(6-8-15-9)11(13)5-4-10-3-2-7-14-10/h2-5,7H,1,6,8H2/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one has a molecular weight of 221.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 11310590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).