(5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione

C14H10N2O2S — CID 45271869

IUPAC(5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccsc3)cc2)N1
InChIInChI=1S/C14H10N2O2S/c17-13-12(15-14(18)16-13)7-9-1-3-10(4-2-9)11-5-6-19-8-11/h1-8H,(H2,15,16,17,18)/b12-7-
InChIKeyNTAHYMVZHIXAOV-GHXNOFRVSA-N
MW270.31 g/mol
LogP2.60
Rot. Bonds2

About (5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 45271869) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is (5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID45271869
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name(5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccsc3)cc2)N1
InChIInChI=1S/C14H10N2O2S/c17-13-12(15-14(18)16-13)7-9-1-3-10(4-2-9)11-5-6-19-8-11/h1-8H,(H2,15,16,17,18)/b12-7-
InChIKeyNTAHYMVZHIXAOV-GHXNOFRVSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.60
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

(5E)-5-[[5-(4-methylsulfanylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261709
(5E)-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261711
(5E)-5-[[5-(3,4-difluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261712
3-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]benzonitrile
CID 53261716
(5E)-2-sulfanylidene-5-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]imidazolidin-4-one
CID 72793029
(Z)-5-(4-(Ethylthio)benzylidene)imidazolidine-2,4-dione
CID 44590756
(5E)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]imidazolidin-4-one
CID 72793028
(Z)-5-(4-(Thiophen-2-yl)benzylidene)imidazolidine-2,4-dione
CID 44590760
(5E)-5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261710
(5E)-5-[[5-(3-fluorophenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261713
(5E)-5-[(5-phenylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 72793026
(5Z)-5-[(2-thiophen-2-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 12988206

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione (CID 45271869) is (5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3ccsc3)cc2)N1.
What is the InChIKey of (5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is NTAHYMVZHIXAOV-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-13-12(15-14(18)16-13)7-9-1-3-10(4-2-9)11-5-6-19-8-11/h1-8H,(H2,15,16,17,18)/b12-7-.
What are the key properties of (5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 270.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-thiophen-3-ylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 45271869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).