2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one

C11H14N4OS — CID 162243328

IUPAC2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one
SMILESO=C1NC(N2CCNCC2)=NC1=C1CC=CS1
InChIInChI=1S/C11H14N4OS/c16-10-9(8-2-1-7-17-8)13-11(14-10)15-5-3-12-4-6-15/h1,7,12H,2-6H2,(H,13,14,16)
InChIKeyRHRYWVVILGIWGV-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.24
Rot. Bonds

About 2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one

2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one (PubChem CID 162243328) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one
PubChem CID162243328
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one
SMILESO=C1NC(N2CCNCC2)=NC1=C1CC=CS1
InChIInChI=1S/C11H14N4OS/c16-10-9(8-2-1-7-17-8)13-11(14-10)15-5-3-12-4-6-15/h1,7,12H,2-6H2,(H,13,14,16)
InChIKeyRHRYWVVILGIWGV-UHFFFAOYSA-N
XLogP0.24
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-benzylidene-2-piperazin-1-yl-1H-imidazol-5-one
CID 136619640
2-(1,4-diazepan-1-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
CID 79500955
(4Z)-4-(phenanthren-9-ylmethylidene)-2-piperazin-1-yl-1H-imidazol-5-one
CID 137133446
2-(1,4-diazepan-1-yl)-5-methyl-1H-pyrimidine-4,6-dione
CID 79500956
3-methyl-4-piperazin-1-yl-1H-pyridazin-6-one
CID 126516146
4-methyl-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-one
CID 163864971
2-(1,4-diazepan-1-yl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82057606
1-(3,5-dimethyl-4-pyridinyl)piperazine
CID 75355584
4-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-3H-1,5-benzodiazepine
CID 71054969
1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine
CID 74891876
5-piperazin-1-yl-1,3-thiazole
CID 96739347
(1S,3S,5S)-2-(5-piperazin-1-ylthiophen-2-yl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 163553152

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one?
The IUPAC name of 2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one (CID 162243328) is 2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one.
What is the SMILES notation for 2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one?
The canonical SMILES for 2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one is O=C1NC(N2CCNCC2)=NC1=C1CC=CS1.
What is the InChIKey of 2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one?
The InChIKey is RHRYWVVILGIWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c16-10-9(8-2-1-7-17-8)13-11(14-10)15-5-3-12-4-6-15/h1,7,12H,2-6H2,(H,13,14,16).
What are the key properties of 2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one?
2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one has a molecular weight of 250.33 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-(3H-thiophen-2-ylidene)-1H-imidazol-5-one is sourced from PubChem (CID 162243328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).