3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one

C18H18N2O2S — CID 4966503

IUPAC3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one
SMILESCC(/N=C1\SCCN1C(=O)C=Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-14(15-6-3-2-4-7-15)19-18-20(11-13-23-18)17(21)10-9-16-8-5-12-22-16/h2-10,12,14H,11,13H2,1H3/b10-9?,19-18-
InChIKeyYOZTVWZOSVIIAM-FQSGZOLCSA-N
MW326.42 g/mol
LogP3.99
Rot. Bonds4

About 3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one

3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one (PubChem CID 4966503) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one
PubChem CID4966503
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one
SMILESCC(/N=C1\SCCN1C(=O)C=Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-14(15-6-3-2-4-7-15)19-18-20(11-13-23-18)17(21)10-9-16-8-5-12-22-16/h2-10,12,14H,11,13H2,1H3/b10-9?,19-18-
InChIKeyYOZTVWZOSVIIAM-FQSGZOLCSA-N
XLogP3.99
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one
CID 3383732
(E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one
CID 11310590
3-(furan-2-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 110887300
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 139256760
(E)-3-(furan-2-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)prop-2-en-1-one
CID 16573656
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-3-oxopent-4-enoic acid
CID 72771340
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 45497154
3-(furan-2-yl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 78288616
(E)-3-(furan-2-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 112627186
3-(furan-2-yl)prop-2-enoic acid
CID 159116571

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one (CID 4966503) is 3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one is CC(/N=C1\SCCN1C(=O)C=Cc1ccco1)c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one?
The InChIKey is YOZTVWZOSVIIAM-FQSGZOLCSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-14(15-6-3-2-4-7-15)19-18-20(11-13-23-18)17(21)10-9-16-8-5-12-22-16/h2-10,12,14H,11,13H2,1H3/b10-9?,19-18-.
What are the key properties of 3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one?
3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one has a molecular weight of 326.42 g/mol, XLogP of 3.99, 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)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one is sourced from PubChem (CID 4966503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).