(5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

C16H20N2O2S — CID 2202142

IUPAC(5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cc(C)c(/C=C2\NC(=S)N(C)C2=O)cc1C(C)C
InChIInChI=1S/C16H20N2O2S/c1-9(2)12-7-11(10(3)6-14(12)20-5)8-13-15(19)18(4)16(21)17-13/h6-9H,1-5H3,(H,17,21)/b13-8-
InChIKeyXLIHHDGMSBTWCM-JYRVWZFOSA-N
MW304.42 g/mol
LogP2.81
Rot. Bonds3

About (5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 2202142) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID2202142
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name(5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cc(C)c(/C=C2\NC(=S)N(C)C2=O)cc1C(C)C
InChIInChI=1S/C16H20N2O2S/c1-9(2)12-7-11(10(3)6-14(12)20-5)8-13-15(19)18(4)16(21)17-13/h6-9H,1-5H3,(H,17,21)/b13-8-
InChIKeyXLIHHDGMSBTWCM-JYRVWZFOSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 804135
5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 2912680
5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 839833
(5E)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 5453223
5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 884257
(5E)-5-[(2,5-dimethylthiophen-3-yl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 19288027
5-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2290640
N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126249487
(5Z)-5-[(2-bromo-4,5-diethoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 1020215
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 5415539
3-[(5E)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2190472
(3Z)-3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-4-methyl-1H-indol-2-one
CID 59044182

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one (CID 2202142) is (5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one is COc1cc(C)c(/C=C2\NC(=S)N(C)C2=O)cc1C(C)C.
What is the InChIKey of (5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XLIHHDGMSBTWCM-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-9(2)12-7-11(10(3)6-14(12)20-5)8-13-15(19)18(4)16(21)17-13/h6-9H,1-5H3,(H,17,21)/b13-8-.
What are the key properties of (5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 304.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2202142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).