(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C10H10N2OS2 — CID 19287912

IUPAC(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccsc1/C=C1/NC(=S)N(C)C1=O
InChIInChI=1S/C10H10N2OS2/c1-6-3-4-15-8(6)5-7-9(13)12(2)10(14)11-7/h3-5H,1-2H3,(H,11,14)/b7-5+
InChIKeyIEZWXYKBSZRDCG-FNORWQNLSA-N
MW238.34 g/mol
LogP1.74
Rot. Bonds1

About (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 19287912) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID19287912
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccsc1/C=C1/NC(=S)N(C)C1=O
InChIInChI=1S/C10H10N2OS2/c1-6-3-4-15-8(6)5-7-9(13)12(2)10(14)11-7/h3-5H,1-2H3,(H,11,14)/b7-5+
InChIKeyIEZWXYKBSZRDCG-FNORWQNLSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.74
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

(5E)-3-cyclopropyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19548623
1,3-dimethyl-5-[(3-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 5050081
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 5415539
(5E)-5-[(4,5-dibromothiophen-2-yl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 19287982
(5E)-5-[(2,5-dimethylthiophen-3-yl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 19288027
(5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 126211878
(5E)-5-[(4-bromophenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 17125804
(5E)-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1269595
(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50873652
(5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 751920
(5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 2202142
5-[(3-chlorophenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 71318776

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 19287912) is (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is Cc1ccsc1/C=C1/NC(=S)N(C)C1=O.
What is the InChIKey of (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is IEZWXYKBSZRDCG-FNORWQNLSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-6-3-4-15-8(6)5-7-9(13)12(2)10(14)11-7/h3-5H,1-2H3,(H,11,14)/b7-5+.
What are the key properties of (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 238.34 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 19287912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).