3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide

C13H17N3OS — CID 64535741

IUPAC3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide
SMILESCN1CCN(CC(C(N)=S)c2ccccc2)C1=O
InChIInChI=1S/C13H17N3OS/c1-15-7-8-16(13(15)17)9-11(12(14)18)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,14,18)
InChIKeyATAVDJQGIZSRNV-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.42
Rot. Bonds4

About 3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide

3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide (PubChem CID 64535741) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide
PubChem CID64535741
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide
SMILESCN1CCN(CC(C(N)=S)c2ccccc2)C1=O
InChIInChI=1S/C13H17N3OS/c1-15-7-8-16(13(15)17)9-11(12(14)18)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,14,18)
InChIKeyATAVDJQGIZSRNV-UHFFFAOYSA-N
XLogP1.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.42
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 3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide?
The IUPAC name of 3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide (CID 64535741) is 3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide.
What is the SMILES notation for 3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide?
The canonical SMILES for 3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide is CN1CCN(CC(C(N)=S)c2ccccc2)C1=O.
What is the InChIKey of 3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide?
The InChIKey is ATAVDJQGIZSRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-15-7-8-16(13(15)17)9-11(12(14)18)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,14,18).
What are the key properties of 3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide?
3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide has a molecular weight of 263.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanethioamide is sourced from PubChem (CID 64535741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).