5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one

C10H11N3OS — CID 79968261

IUPAC5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1cccs1
InChIInChI=1S/C10H11N3OS/c1-2-5-13-8(7-4-3-6-15-7)9(11)12-10(13)14/h2-4,6,8H,1,5H2,(H2,11,12,14)
InChIKeyAIGKDXBMOOAQFY-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.77
Rot. Bonds3

About 5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one

5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one (PubChem CID 79968261) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one
PubChem CID79968261
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1c1cccs1
InChIInChI=1S/C10H11N3OS/c1-2-5-13-8(7-4-3-6-15-7)9(11)12-10(13)14/h2-4,6,8H,1,5H2,(H2,11,12,14)
InChIKeyAIGKDXBMOOAQFY-UHFFFAOYSA-N
XLogP1.77
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 16302766
4-Thiophen-2-ylimidazolidin-2-one
CID 15700913
1-[2-[Di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 21975934
2-Thiophen-2-ylpiperazine-1-carboxamide
CID 57000402
2-[2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 141852659
1-Cyclopentyl-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 156239324
1-Cyclopentyl-1-(thiophen-2-ylmethyl)urea
CID 162459045
4-Amino-1-(thiophen-2-ylmethyl)pyrimidin-2-one
CID 169083443
1-Cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
4-(Bromoamino)-1-(thiophen-2-ylmethyl)pyrimidin-2-one
CID 176597357
4-(dimethylamino)-2-methyl-2-thiophen-2-yl-1H-imidazol-5-one
CID 177938031
1-cyclohexyl-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]urea
CID 9325123

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one (CID 79968261) is 5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one is C=CCN1C(=O)N=C(N)C1c1cccs1.
What is the InChIKey of 5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one?
The InChIKey is AIGKDXBMOOAQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-2-5-13-8(7-4-3-6-15-7)9(11)12-10(13)14/h2-4,6,8H,1,5H2,(H2,11,12,14).
What are the key properties of 5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one?
5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one has a molecular weight of 221.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-prop-2-enyl-4-thiophen-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79968261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).