1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea

C9H16N4OS — CID 131857631

IUPAC1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea
SMILESCCN1CCN(NC(=S)NC2CC2)C1=O
InChIInChI=1S/C9H16N4OS/c1-2-12-5-6-13(9(12)14)11-8(15)10-7-3-4-7/h7H,2-6H2,1H3,(H2,10,11,15)
InChIKeyVUGPTPCOHFCCIW-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.29
Rot. Bonds3

About 1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea

1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea (PubChem CID 131857631) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea
PubChem CID131857631
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea
SMILESCCN1CCN(NC(=S)NC2CC2)C1=O
InChIInChI=1S/C9H16N4OS/c1-2-12-5-6-13(9(12)14)11-8(15)10-7-3-4-7/h7H,2-6H2,1H3,(H2,10,11,15)
InChIKeyVUGPTPCOHFCCIW-UHFFFAOYSA-N
XLogP0.29
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.29
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 1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea (CID 131857631) is 1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea is CCN1CCN(NC(=S)NC2CC2)C1=O.
What is the InChIKey of 1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea?
The InChIKey is VUGPTPCOHFCCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-2-12-5-6-13(9(12)14)11-8(15)10-7-3-4-7/h7H,2-6H2,1H3,(H2,10,11,15).
What are the key properties of 1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea?
1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea has a molecular weight of 228.32 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-ethyl-2-oxoimidazolidin-1-yl)thiourea is sourced from PubChem (CID 131857631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).