5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one

C18H21N3O2S2 — CID 141056547

IUPAC5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one
SMILESCC1C(=O)N(c2cccs2)C(S)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O2S2/c1-13-17(22)21(16-3-2-12-25-16)18(24)20(13)15-6-4-14(5-7-15)19-8-10-23-11-9-19/h2-7,12-13,18,24H,8-11H2,1H3
InChIKeyMWLRPIVPZUXYKW-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.04
Rot. Bonds3

About 5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one

5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one (PubChem CID 141056547) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one
PubChem CID141056547
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one
SMILESCC1C(=O)N(c2cccs2)C(S)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O2S2/c1-13-17(22)21(16-3-2-12-25-16)18(24)20(13)15-6-4-14(5-7-15)19-8-10-23-11-9-19/h2-7,12-13,18,24H,8-11H2,1H3
InChIKeyMWLRPIVPZUXYKW-UHFFFAOYSA-N
XLogP3.04
TPSA36.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one (CID 141056547) is 5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one is CC1C(=O)N(c2cccs2)C(S)N1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one?
The InChIKey is MWLRPIVPZUXYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-13-17(22)21(16-3-2-12-25-16)18(24)20(13)15-6-4-14(5-7-15)19-8-10-23-11-9-19/h2-7,12-13,18,24H,8-11H2,1H3.
What are the key properties of 5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one?
5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one has a molecular weight of 375.52 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-morpholin-4-ylphenyl)-2-sulfanyl-3-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 141056547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).