4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde

C5H6N2O2S — CID 23077151

IUPAC4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde
SMILESCC1(C=S)NC(=O)NC1=O
InChIInChI=1S/C5H6N2O2S/c1-5(2-10)3(8)6-4(9)7-5/h2H,1H3,(H2,6,7,8,9)
InChIKeyXBANFUMPRRKREV-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.42
Rot. Bonds1

About 4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde

4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde (PubChem CID 23077151) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde.

Molecular Properties

Compound Name4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde
PubChem CID23077151
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde
SMILESCC1(C=S)NC(=O)NC1=O
InChIInChI=1S/C5H6N2O2S/c1-5(2-10)3(8)6-4(9)7-5/h2H,1H3,(H2,6,7,8,9)
InChIKeyXBANFUMPRRKREV-UHFFFAOYSA-N
XLogP-0.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde?
The IUPAC name of 4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde (CID 23077151) is 4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde.
What is the SMILES notation for 4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde?
The canonical SMILES for 4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde is CC1(C=S)NC(=O)NC1=O.
What is the InChIKey of 4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde?
The InChIKey is XBANFUMPRRKREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-5(2-10)3(8)6-4(9)7-5/h2H,1H3,(H2,6,7,8,9).
What are the key properties of 4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde?
4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde has a molecular weight of 158.18 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5-dioxoimidazolidine-4-carbothialdehyde is sourced from PubChem (CID 23077151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).