N-methyl-2-oxoimidazolidine-1-carbothioamide

C5H9N3OS — CID 13031747

IUPACN-methyl-2-oxoimidazolidine-1-carbothioamide
SMILESCNC(=S)N1CCNC1=O
InChIInChI=1S/C5H9N3OS/c1-6-5(10)8-3-2-7-4(8)9/h2-3H2,1H3,(H,6,10)(H,7,9)
InChIKeyZXLGIIKNUTXDCN-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.48
Rot. Bonds

About N-methyl-2-oxoimidazolidine-1-carbothioamide

N-methyl-2-oxoimidazolidine-1-carbothioamide (PubChem CID 13031747) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is N-methyl-2-oxoimidazolidine-1-carbothioamide.

Molecular Properties

Compound NameN-methyl-2-oxoimidazolidine-1-carbothioamide
PubChem CID13031747
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC NameN-methyl-2-oxoimidazolidine-1-carbothioamide
SMILESCNC(=S)N1CCNC1=O
InChIInChI=1S/C5H9N3OS/c1-6-5(10)8-3-2-7-4(8)9/h2-3H2,1H3,(H,6,10)(H,7,9)
InChIKeyZXLGIIKNUTXDCN-UHFFFAOYSA-N
XLogP-0.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.48
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 N-methyl-2-oxoimidazolidine-1-carbothioamide?
The IUPAC name of N-methyl-2-oxoimidazolidine-1-carbothioamide (CID 13031747) is N-methyl-2-oxoimidazolidine-1-carbothioamide.
What is the SMILES notation for N-methyl-2-oxoimidazolidine-1-carbothioamide?
The canonical SMILES for N-methyl-2-oxoimidazolidine-1-carbothioamide is CNC(=S)N1CCNC1=O.
What is the InChIKey of N-methyl-2-oxoimidazolidine-1-carbothioamide?
The InChIKey is ZXLGIIKNUTXDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-6-5(10)8-3-2-7-4(8)9/h2-3H2,1H3,(H,6,10)(H,7,9).
What are the key properties of N-methyl-2-oxoimidazolidine-1-carbothioamide?
N-methyl-2-oxoimidazolidine-1-carbothioamide has a molecular weight of 159.21 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxoimidazolidine-1-carbothioamide is sourced from PubChem (CID 13031747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).