(5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one

C15H19N3O2S — CID 5469490

IUPAC(5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one
SMILESCSC1=N/C(=C\c2ccco2)C(=O)N1CN1CCCCC1
InChIInChI=1S/C15H19N3O2S/c1-21-15-16-13(10-12-6-5-9-20-12)14(19)18(15)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3/b13-10-
InChIKeySZELRWDLPYBUNP-RAXLEYEMSA-N
MW305.40 g/mol
LogP2.63
Rot. Bonds3

About (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one

(5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one (PubChem CID 5469490) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one
PubChem CID5469490
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one
SMILESCSC1=N/C(=C\c2ccco2)C(=O)N1CN1CCCCC1
InChIInChI=1S/C15H19N3O2S/c1-21-15-16-13(10-12-6-5-9-20-12)14(19)18(15)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3/b13-10-
InChIKeySZELRWDLPYBUNP-RAXLEYEMSA-N
XLogP2.63
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one (CID 5469490) is (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one is CSC1=N/C(=C\c2ccco2)C(=O)N1CN1CCCCC1.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one?
The InChIKey is SZELRWDLPYBUNP-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-21-15-16-13(10-12-6-5-9-20-12)14(19)18(15)11-17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3/b13-10-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one?
(5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one has a molecular weight of 305.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(piperidin-1-ylmethyl)imidazol-4-one is sourced from PubChem (CID 5469490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).