(5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione

C14H9ClN2O2S2 — CID 956475

IUPAC(5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)N1
InChIInChI=1S/C14H9ClN2O2S2/c15-8-1-3-9(4-2-8)20-12-6-5-10(21-12)7-11-13(18)17-14(19)16-11/h1-7H,(H2,16,17,18,19)/b11-7+
InChIKeyCFYYSADLPYCMGW-YRNVUSSQSA-N
MW336.83 g/mol
LogP3.73
Rot. Bonds3

About (5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione

(5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 956475) has the molecular formula C14H9ClN2O2S2 and a molecular weight of 336.83 g/mol. Its IUPAC name is (5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione
PubChem CID956475
Molecular FormulaC14H9ClN2O2S2
Molecular Weight336.83 g/mol
Exact Mass335.98
IUPAC Name(5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)N1
InChIInChI=1S/C14H9ClN2O2S2/c15-8-1-3-9(4-2-8)20-12-6-5-10(21-12)7-11-13(18)17-14(19)16-11/h1-7H,(H2,16,17,18,19)/b11-7+
InChIKeyCFYYSADLPYCMGW-YRNVUSSQSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[[5-(3-chlorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261658
(5E)-5-[[5-(4-chlorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261659
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 697118
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1813162
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 56949901
(5E)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 72793027
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 697116
5-[[5-(3-Chlorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 75995587
5-[[5-(4-Chlorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 75995588
(5Z)-5-[[5-(4-chlorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 87324763
5-[(5-Chloro-2-thienyl)methylene]-2-thioxo-4-imidazolidinone
CID 720582
5-[(5-Chlorothiophen-2-yl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 961932

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione (CID 956475) is (5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)N1.
What is the InChIKey of (5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is CFYYSADLPYCMGW-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H9ClN2O2S2/c15-8-1-3-9(4-2-8)20-12-6-5-10(21-12)7-11-13(18)17-14(19)16-11/h1-7H,(H2,16,17,18,19)/b11-7+.
What are the key properties of (5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione?
(5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 336.83 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 956475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).