4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one

C11H9NO2S2 — CID 885764

IUPAC4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one
SMILESCSC1=NC(=CC=Cc2ccco2)C(=O)S1
InChIInChI=1S/C11H9NO2S2/c1-15-11-12-9(10(13)16-11)6-2-4-8-5-3-7-14-8/h2-7H,1H3
InChIKeyGWNXAPSSOFUZHF-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.17
Rot. Bonds2

About 4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one

4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one (PubChem CID 885764) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one.

Molecular Properties

Compound Name4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one
PubChem CID885764
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Name4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one
SMILESCSC1=NC(=CC=Cc2ccco2)C(=O)S1
InChIInChI=1S/C11H9NO2S2/c1-15-11-12-9(10(13)16-11)6-2-4-8-5-3-7-14-8/h2-7H,1H3
InChIKeyGWNXAPSSOFUZHF-UHFFFAOYSA-N
XLogP3.17
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 4078415
2-benzylsulfanyl-4-(furan-2-ylmethylidene)-1,3-thiazol-5-one
CID 891524
5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 3976608
(4Z)-4-[(5-bromofuran-2-yl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one
CID 2234851
5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 1491241
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135467630
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6388341
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
CID 126241743
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one
CID 4516007
2-nona-1,3,5,7-tetraenylfuran
CID 173428871
(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one
CID 2226730
5-[3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3753735

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one?
The IUPAC name of 4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one (CID 885764) is 4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one.
What is the SMILES notation for 4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one?
The canonical SMILES for 4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one is CSC1=NC(=CC=Cc2ccco2)C(=O)S1.
What is the InChIKey of 4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one?
The InChIKey is GWNXAPSSOFUZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S2/c1-15-11-12-9(10(13)16-11)6-2-4-8-5-3-7-14-8/h2-7H,1H3.
What are the key properties of 4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one?
4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one has a molecular weight of 251.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)prop-2-enylidene]-2-methylsulfanyl-1,3-thiazol-5-one is sourced from PubChem (CID 885764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).