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

C8H5ClN2O2S — CID 697116

IUPAC(5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Cl)s2)N1
InChIInChI=1S/C8H5ClN2O2S/c9-6-2-1-4(14-6)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)/b5-3+
InChIKeySPFSMWGCTVRBCQ-HWKANZROSA-N
MW228.66 g/mol
LogP1.58
Rot. Bonds1

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

(5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 697116) has the molecular formula C8H5ClN2O2S and a molecular weight of 228.66 g/mol. Its IUPAC name is (5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
PubChem CID697116
Molecular FormulaC8H5ClN2O2S
Molecular Weight228.66 g/mol
Exact Mass227.98
IUPAC Name(5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Cl)s2)N1
InChIInChI=1S/C8H5ClN2O2S/c9-6-2-1-4(14-6)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)/b5-3+
InChIKeySPFSMWGCTVRBCQ-HWKANZROSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-(2-Thienylmethylene)-2,4-imidazolidinedione
CID 6508822
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 697118
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1257539
(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
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 56949903
(5E)-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione
CID 6307122
(5E)-5-({5-[(4-chlorophenyl)sulfanyl]thiophen-2-yl}methylidene)imidazolidine-2,4-dione
CID 956475
5-[(5-Chloro-2-thienyl)methylene]-1,3-thiazolidine-2,4-dione
CID 1257537
5-(2-Thenylidene) hydantoin
CID 2751720
(5Z)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
CID 124035152
5-[(5-Chloro-2-thienyl)methylene]-2-thioxo-4-imidazolidinone
CID 720582

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione (CID 697116) is (5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(Cl)s2)N1.
What is the InChIKey of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is SPFSMWGCTVRBCQ-HWKANZROSA-N. The full InChI is InChI=1S/C8H5ClN2O2S/c9-6-2-1-4(14-6)3-5-7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13)/b5-3+.
What are the key properties of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 228.66 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 697116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).