(5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C14H13N3OS — CID 162786971

IUPAC(5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCn1cc(/C=C2\NC(=S)NC2=O)c2ccccc21
InChIInChI=1S/C14H13N3OS/c1-2-17-8-9(10-5-3-4-6-12(10)17)7-11-13(18)16-14(19)15-11/h3-8H,2H2,1H3,(H2,15,16,18,19)/b11-7-
InChIKeyKBSSFFCZAWMKGI-XFFZJAGNSA-N
MW271.35 g/mol
LogP2.01
Rot. Bonds2

About (5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 162786971) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is (5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID162786971
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name(5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCn1cc(/C=C2\NC(=S)NC2=O)c2ccccc21
InChIInChI=1S/C14H13N3OS/c1-2-17-8-9(10-5-3-4-6-12(10)17)7-11-13(18)16-14(19)15-11/h3-8H,2H2,1H3,(H2,15,16,18,19)/b11-7-
InChIKeyKBSSFFCZAWMKGI-XFFZJAGNSA-N
XLogP2.01
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
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)-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 50872323
methyl 5-[[3-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]indol-1-yl]methyl]furan-2-carboxylate
CID 126398232
(5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione
CID 930056
(5Z)-3-(3,4-dimethylphenyl)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 44714137
(5Z)-5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 44714477
(5E)-5-[(1-ethylindol-3-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7328677
methyl 2-[3-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]acetate
CID 6182984
1-(2,4-dimethylphenyl)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 71966953
(5E)-5-[(1-ethylindol-3-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 5429451
5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione
CID 1318749
(5E)-5-[(2-ethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 696463
5-[(1-ethylindol-3-yl)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione
CID 3831481

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 162786971) is (5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is CCn1cc(/C=C2\NC(=S)NC2=O)c2ccccc21.
What is the InChIKey of (5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is KBSSFFCZAWMKGI-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-17-8-9(10-5-3-4-6-12(10)17)7-11-13(18)16-14(19)15-11/h3-8H,2H2,1H3,(H2,15,16,18,19)/b11-7-.
What are the key properties of (5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 271.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 162786971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).