N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide

C11H13N3OS — CID 89467864

IUPACN-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide
SMILESCNC(=S)N1CCN(c2ccccc2)C1=O
InChIInChI=1S/C11H13N3OS/c1-12-10(16)14-8-7-13(11(14)15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,16)
InChIKeyMEBDMOLFQPNEKB-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.43
Rot. Bonds1

About N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide

N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide (PubChem CID 89467864) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide.

Molecular Properties

Compound NameN-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide
PubChem CID89467864
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide
SMILESCNC(=S)N1CCN(c2ccccc2)C1=O
InChIInChI=1S/C11H13N3OS/c1-12-10(16)14-8-7-13(11(14)15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,16)
InChIKeyMEBDMOLFQPNEKB-UHFFFAOYSA-N
XLogP1.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
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-oxo-3-phenylimidazolidine-1-carbothioamide?
The IUPAC name of N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide (CID 89467864) is N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide.
What is the SMILES notation for N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide?
The canonical SMILES for N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide is CNC(=S)N1CCN(c2ccccc2)C1=O.
What is the InChIKey of N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide?
The InChIKey is MEBDMOLFQPNEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-12-10(16)14-8-7-13(11(14)15)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,16).
What are the key properties of N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide?
N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide has a molecular weight of 235.31 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-3-phenylimidazolidine-1-carbothioamide is sourced from PubChem (CID 89467864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).