4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one

C10H13N3OS — CID 138390708

IUPAC4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1c1cccs1
InChIInChI=1S/C10H13N3OS/c1-6(2)13-8(7-4-3-5-15-7)9(11)12-10(13)14/h3-6,8H,1-2H3,(H2,11,12,14)
InChIKeyZFDZUQIVIRULQD-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.20
Rot. Bonds2

About 4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one

4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one (PubChem CID 138390708) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one
PubChem CID138390708
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1c1cccs1
InChIInChI=1S/C10H13N3OS/c1-6(2)13-8(7-4-3-5-15-7)9(11)12-10(13)14/h3-6,8H,1-2H3,(H2,11,12,14)
InChIKeyZFDZUQIVIRULQD-UHFFFAOYSA-N
XLogP2.20
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one?
The IUPAC name of 4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one (CID 138390708) is 4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one?
The canonical SMILES for 4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C(C)C)C1c1cccs1.
What is the InChIKey of 4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one?
The InChIKey is ZFDZUQIVIRULQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-6(2)13-8(7-4-3-5-15-7)9(11)12-10(13)14/h3-6,8H,1-2H3,(H2,11,12,14).
What are the key properties of 4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one?
4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one has a molecular weight of 223.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-propan-2-yl-5-thiophen-2-ylimidazolidin-2-one is sourced from PubChem (CID 138390708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).