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

C14H17N3O2S2 — CID 5469483

IUPAC(5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one
SMILESCSC1=N/C(=C\c2cccs2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C14H17N3O2S2/c1-20-14-15-12(9-11-3-2-8-21-11)13(18)17(14)10-16-4-6-19-7-5-16/h2-3,8-9H,4-7,10H2,1H3/b12-9-
InChIKeyGVSINYPEYJLMHI-XFXZXTDPSA-N
MW323.44 g/mol
LogP1.94
Rot. Bonds3

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

(5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one (PubChem CID 5469483) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one
PubChem CID5469483
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name(5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one
SMILESCSC1=N/C(=C\c2cccs2)C(=O)N1CN1CCOCC1
InChIInChI=1S/C14H17N3O2S2/c1-20-14-15-12(9-11-3-2-8-21-11)13(18)17(14)10-16-4-6-19-7-5-16/h2-3,8-9H,4-7,10H2,1H3/b12-9-
InChIKeyGVSINYPEYJLMHI-XFXZXTDPSA-N
XLogP1.94
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.94
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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Related Compounds

(5Z)-2-(morpholin-4-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4(5H)-one
CID 691379
2-(4-morpholinyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 691378
5-[(3-methyl-2-thienyl)methylene]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one
CID 701648
5-(3-Methyl-thiophen-2-ylmethylene)-2-morpholin-4-yl-thiazol-4-one
CID 701646
3-(4-Morpholinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469471
(5Z)-2-methylsulfanyl-3-(1-piperidylmethyl)-5-(2-thienylmethylene)imidazol-4-one
CID 5469489
(5Z)-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 5470565
2-(4-Morpholinyl)-5-(2-thienylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 135493955
5-[(3-Methyl-2-thiophenyl)methylidene]-2-(4-morpholinyl)-4-thiazolone
CID 2892971
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 5729825
(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 16370530
ethyl ({(4E)-1-(2-methylpropyl)-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetate
CID 17021069

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The IUPAC name of (5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one (CID 5469483) is (5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one.
What is the SMILES notation for (5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The canonical SMILES for (5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one is CSC1=N/C(=C\c2cccs2)C(=O)N1CN1CCOCC1.
What is the InChIKey of (5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one?
The InChIKey is GVSINYPEYJLMHI-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-20-14-15-12(9-11-3-2-8-21-11)13(18)17(14)10-16-4-6-19-7-5-16/h2-3,8-9H,4-7,10H2,1H3/b12-9-.
What are the key properties of (5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one?
(5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one has a molecular weight of 323.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methylsulfanyl-3-(morpholin-4-ylmethyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one is sourced from PubChem (CID 5469483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).