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

C14H17N3O3S — CID 5469484

IUPAC(5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one
SMILESCSC1=N/C(=C\c2ccco2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C14H17N3O3S/c1-21-14-15-12(9-11-3-2-6-20-11)13(18)17(14)10-16-4-7-19-8-5-16/h2-3,6,9H,4-5,7-8,10H2,1H3/b12-9-
InChIKeyHOXAPWRDAVNUKJ-XFXZXTDPSA-N
MW307.37 g/mol
LogP1.47
Rot. Bonds3

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

(5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one (PubChem CID 5469484) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one
PubChem CID5469484
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one
SMILESCSC1=N/C(=C\c2ccco2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C14H17N3O3S/c1-21-14-15-12(9-11-3-2-6-20-11)13(18)17(14)10-16-4-7-19-8-5-16/h2-3,6,9H,4-5,7-8,10H2,1H3/b12-9-
InChIKeyHOXAPWRDAVNUKJ-XFXZXTDPSA-N
XLogP1.47
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(morpholin-4-ylmethyl)imidazol-4-one?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one (CID 5469484) is (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one is CSC1=N/C(=C\c2ccco2)C(=O)N1CN1CCOCC1.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one?
The InChIKey is HOXAPWRDAVNUKJ-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-21-14-15-12(9-11-3-2-6-20-11)13(18)17(14)10-16-4-7-19-8-5-16/h2-3,6,9H,4-5,7-8,10H2,1H3/b12-9-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one?
(5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one has a molecular weight of 307.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)imidazol-4-one is sourced from PubChem (CID 5469484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).