1-thiophen-3-ylimidazolidin-2-one

C7H8N2OS — CID 115370757

IUPAC1-thiophen-3-ylimidazolidin-2-one
SMILESO=C1NCCN1c1ccsc1
InChIInChI=1S/C7H8N2OS/c10-7-8-2-3-9(7)6-1-4-11-5-6/h1,4-5H,2-3H2,(H,8,10)
InChIKeyPOBWATSZIVKWNM-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.28
Rot. Bonds1

About 1-thiophen-3-ylimidazolidin-2-one

1-thiophen-3-ylimidazolidin-2-one (PubChem CID 115370757) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-thiophen-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-thiophen-3-ylimidazolidin-2-one
PubChem CID115370757
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name1-thiophen-3-ylimidazolidin-2-one
SMILESO=C1NCCN1c1ccsc1
InChIInChI=1S/C7H8N2OS/c10-7-8-2-3-9(7)6-1-4-11-5-6/h1,4-5H,2-3H2,(H,8,10)
InChIKeyPOBWATSZIVKWNM-UHFFFAOYSA-N
XLogP1.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylimidazolidin-2-one?
The IUPAC name of 1-thiophen-3-ylimidazolidin-2-one (CID 115370757) is 1-thiophen-3-ylimidazolidin-2-one.
What is the SMILES notation for 1-thiophen-3-ylimidazolidin-2-one?
The canonical SMILES for 1-thiophen-3-ylimidazolidin-2-one is O=C1NCCN1c1ccsc1.
What is the InChIKey of 1-thiophen-3-ylimidazolidin-2-one?
The InChIKey is POBWATSZIVKWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c10-7-8-2-3-9(7)6-1-4-11-5-6/h1,4-5H,2-3H2,(H,8,10).
What are the key properties of 1-thiophen-3-ylimidazolidin-2-one?
1-thiophen-3-ylimidazolidin-2-one has a molecular weight of 168.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylimidazolidin-2-one is sourced from PubChem (CID 115370757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).