(5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

C14H14N2O2S — CID 1041244

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2ccc(OC)cc2)NC1=S
InChIInChI=1S/C14H14N2O2S/c1-3-8-16-13(17)12(15-14(16)19)9-10-4-6-11(18-2)7-5-10/h3-7,9H,1,8H2,2H3,(H,15,19)/b12-9-
InChIKeyBVIPBUYSOPOCSU-XFXZXTDPSA-N
MW274.35 g/mol
LogP1.94
Rot. Bonds4

About (5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 1041244) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID1041244
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2ccc(OC)cc2)NC1=S
InChIInChI=1S/C14H14N2O2S/c1-3-8-16-13(17)12(15-14(16)19)9-10-4-6-11(18-2)7-5-10/h3-7,9H,1,8H2,2H3,(H,15,19)/b12-9-
InChIKeyBVIPBUYSOPOCSU-XFXZXTDPSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 1041244) is (5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)NC1=S.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is BVIPBUYSOPOCSU-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-3-8-16-13(17)12(15-14(16)19)9-10-4-6-11(18-2)7-5-10/h3-7,9H,1,8H2,2H3,(H,15,19)/b12-9-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 274.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 1041244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).