2-oxoimidazolidine-1-carbothioamide

C4H7N3OS — CID 3037080

IUPAC2-oxoimidazolidine-1-carbothioamide
SMILESNC(=S)N1CCNC1=O
InChIInChI=1S/C4H7N3OS/c5-3(9)7-2-1-6-4(7)8/h1-2H2,(H2,5,9)(H,6,8)
InChIKeyILJCBKGAZSIGIH-UHFFFAOYSA-N
MW145.19 g/mol
LogP-0.74
Rot. Bonds

About 2-oxoimidazolidine-1-carbothioamide

2-oxoimidazolidine-1-carbothioamide (PubChem CID 3037080) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is 2-oxoimidazolidine-1-carbothioamide.

Molecular Properties

Compound Name2-oxoimidazolidine-1-carbothioamide
PubChem CID3037080
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name2-oxoimidazolidine-1-carbothioamide
SMILESNC(=S)N1CCNC1=O
InChIInChI=1S/C4H7N3OS/c5-3(9)7-2-1-6-4(7)8/h1-2H2,(H2,5,9)(H,6,8)
InChIKeyILJCBKGAZSIGIH-UHFFFAOYSA-N
XLogP-0.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxoimidazolidine-1-carbothioamide?
The IUPAC name of 2-oxoimidazolidine-1-carbothioamide (CID 3037080) is 2-oxoimidazolidine-1-carbothioamide.
What is the SMILES notation for 2-oxoimidazolidine-1-carbothioamide?
The canonical SMILES for 2-oxoimidazolidine-1-carbothioamide is NC(=S)N1CCNC1=O.
What is the InChIKey of 2-oxoimidazolidine-1-carbothioamide?
The InChIKey is ILJCBKGAZSIGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c5-3(9)7-2-1-6-4(7)8/h1-2H2,(H2,5,9)(H,6,8).
What are the key properties of 2-oxoimidazolidine-1-carbothioamide?
2-oxoimidazolidine-1-carbothioamide has a molecular weight of 145.19 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoimidazolidine-1-carbothioamide is sourced from PubChem (CID 3037080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).