2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

C21H24N4OS2 — CID 38014286

IUPAC2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1cccc(-n2ccnc2SCC(=O)N2CCN(Cc3cccs3)CC2)c1
InChIInChI=1S/C21H24N4OS2/c1-17-4-2-5-18(14-17)25-8-7-22-21(25)28-16-20(26)24-11-9-23(10-12-24)15-19-6-3-13-27-19/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyFFXHZJAZHRKVNZ-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.68
Rot. Bonds6

About 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 38014286) has the molecular formula C21H24N4OS2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID38014286
Molecular FormulaC21H24N4OS2
Molecular Weight412.58 g/mol
Exact Mass412.14
IUPAC Name2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1cccc(-n2ccnc2SCC(=O)N2CCN(Cc3cccs3)CC2)c1
InChIInChI=1S/C21H24N4OS2/c1-17-4-2-5-18(14-17)25-8-7-22-21(25)28-16-20(26)24-11-9-23(10-12-24)15-19-6-3-13-27-19/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyFFXHZJAZHRKVNZ-UHFFFAOYSA-N
XLogP3.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 40665734
1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone
CID 24579913
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 86973881
2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 38117858
4-[[4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 55511747
2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 38222371
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78788636
2-(3-methylquinoxalin-2-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 35503083
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 38079657
N-tert-butyl-2-[4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide
CID 24572763
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone
CID 112800561
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112814536

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (CID 38014286) is 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is Cc1cccc(-n2ccnc2SCC(=O)N2CCN(Cc3cccs3)CC2)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is FFXHZJAZHRKVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS2/c1-17-4-2-5-18(14-17)25-8-7-22-21(25)28-16-20(26)24-11-9-23(10-12-24)15-19-6-3-13-27-19/h2-8,13-14H,9-12,15-16H2,1H3.
What are the key properties of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 412.58 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 38014286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).