N-ethyl-2-oxoimidazolidine-1-carbothioamide

C6H11N3OS — CID 13031748

IUPACN-ethyl-2-oxoimidazolidine-1-carbothioamide
SMILESCCNC(=S)N1CCNC1=O
InChIInChI=1S/C6H11N3OS/c1-2-7-6(11)9-4-3-8-5(9)10/h2-4H2,1H3,(H,7,11)(H,8,10)
InChIKeyUSCVMSUAPLLXSS-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.09
Rot. Bonds1

About N-ethyl-2-oxoimidazolidine-1-carbothioamide

N-ethyl-2-oxoimidazolidine-1-carbothioamide (PubChem CID 13031748) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is N-ethyl-2-oxoimidazolidine-1-carbothioamide.

Molecular Properties

Compound NameN-ethyl-2-oxoimidazolidine-1-carbothioamide
PubChem CID13031748
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC NameN-ethyl-2-oxoimidazolidine-1-carbothioamide
SMILESCCNC(=S)N1CCNC1=O
InChIInChI=1S/C6H11N3OS/c1-2-7-6(11)9-4-3-8-5(9)10/h2-4H2,1H3,(H,7,11)(H,8,10)
InChIKeyUSCVMSUAPLLXSS-UHFFFAOYSA-N
XLogP-0.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.09
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-ethyl-2-oxoimidazolidine-1-carbothioamide?
The IUPAC name of N-ethyl-2-oxoimidazolidine-1-carbothioamide (CID 13031748) is N-ethyl-2-oxoimidazolidine-1-carbothioamide.
What is the SMILES notation for N-ethyl-2-oxoimidazolidine-1-carbothioamide?
The canonical SMILES for N-ethyl-2-oxoimidazolidine-1-carbothioamide is CCNC(=S)N1CCNC1=O.
What is the InChIKey of N-ethyl-2-oxoimidazolidine-1-carbothioamide?
The InChIKey is USCVMSUAPLLXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-2-7-6(11)9-4-3-8-5(9)10/h2-4H2,1H3,(H,7,11)(H,8,10).
What are the key properties of N-ethyl-2-oxoimidazolidine-1-carbothioamide?
N-ethyl-2-oxoimidazolidine-1-carbothioamide has a molecular weight of 173.24 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxoimidazolidine-1-carbothioamide is sourced from PubChem (CID 13031748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).