(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one

C11H12N2O2S — CID 135505218

IUPAC(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one
SMILESCCCSC1=N/C(=C\c2ccco2)C(=O)N1
InChIInChI=1S/C11H12N2O2S/c1-2-6-16-11-12-9(10(14)13-11)7-8-4-3-5-15-8/h3-5,7H,2,6H2,1H3,(H,12,13,14)/b9-7-
InChIKeyPVGOLORXGVPNHA-CLFYSBASSA-N
MW236.30 g/mol
LogP2.25
Rot. Bonds3

About (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one

(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one (PubChem CID 135505218) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one
PubChem CID135505218
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one
SMILESCCCSC1=N/C(=C\c2ccco2)C(=O)N1
InChIInChI=1S/C11H12N2O2S/c1-2-6-16-11-12-9(10(14)13-11)7-8-4-3-5-15-8/h3-5,7H,2,6H2,1H3,(H,12,13,14)/b9-7-
InChIKeyPVGOLORXGVPNHA-CLFYSBASSA-N
XLogP2.25
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((2-(Furan-2-yl)-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 2399528
5-(2-Furylmethylene)-2-imino-1,3-thiazolidin-4-one
CID 1243441
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 801586
(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-propylsulfanyl-1,3-thiazol-5-one
CID 2184820
N-(2-(furan-2-ylmethylthio)ethyl)-2-(4-hydroxy-6-propylpyrimidin-2-ylthio)acetamide
CID 135435989
(5Z)-5-(furan-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one
CID 1243442
5-(Furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one
CID 20873930
7-(Furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20874000
(4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one
CID 135445604
4-(furan-2-yl)-2-(2-methylpropylsulfanyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135460669
(4Z)-4-(furan-2-ylmethylidene)-2-methyl-1H-imidazol-5-one
CID 136265735
(5Z)-4-chloro-2-ethylsulfanyl-5-(2-furylmethylene)imidazole
CID 5469626

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one (CID 135505218) is (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one is CCCSC1=N/C(=C\c2ccco2)C(=O)N1.
What is the InChIKey of (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one?
The InChIKey is PVGOLORXGVPNHA-CLFYSBASSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-6-16-11-12-9(10(14)13-11)7-8-4-3-5-15-8/h3-5,7H,2,6H2,1H3,(H,12,13,14)/b9-7-.
What are the key properties of (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one?
(4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one has a molecular weight of 236.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one is sourced from PubChem (CID 135505218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).