3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one

C14H24N4OS — CID 91828418

IUPAC3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCN(C2CCSCC2)CC1
InChIInChI=1S/C14H24N4OS/c19-14-15-3-4-18(14)10-7-16-5-8-17(9-6-16)13-1-11-20-12-2-13/h3-4,13H,1-2,5-12H2,(H,15,19)
InChIKeyAKTQCYWFQCDNKT-UHFFFAOYSA-N
MW296.44 g/mol
LogP0.69
Rot. Bonds4

About 3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one

3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one (PubChem CID 91828418) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one
PubChem CID91828418
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCN(C2CCSCC2)CC1
InChIInChI=1S/C14H24N4OS/c19-14-15-3-4-18(14)10-7-16-5-8-17(9-6-16)13-1-11-20-12-2-13/h3-4,13H,1-2,5-12H2,(H,15,19)
InChIKeyAKTQCYWFQCDNKT-UHFFFAOYSA-N
XLogP0.69
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]-1H-imidazol-2-one
CID 91843373
3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one
CID 103124813
1-[2-(5-methylpyrazol-1-yl)ethyl]-4-(thian-4-yl)piperazine
CID 91839725
3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124750427
3-[2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 135104344
3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one
CID 103125432
N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide
CID 91833419
3-[2-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethyl]-1H-imidazol-2-one
CID 91840649
3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one
CID 91843706
3-[2-[(3S)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 125176070
2-[4-(thiolan-3-yl)piperazin-1-yl]ethanamine
CID 121201869
6-[4-(thian-4-yl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 56913520

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one (CID 91828418) is 3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one is O=c1[nH]ccn1CCN1CCN(C2CCSCC2)CC1.
What is the InChIKey of 3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one?
The InChIKey is AKTQCYWFQCDNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c19-14-15-3-4-18(14)10-7-16-5-8-17(9-6-16)13-1-11-20-12-2-13/h3-4,13H,1-2,5-12H2,(H,15,19).
What are the key properties of 3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one?
3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one has a molecular weight of 296.44 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(thian-4-yl)piperazin-1-yl]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 91828418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).