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

C20H23N5OS2 — CID 86944043

IUPAC2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1nccn1Cc1ccccn1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H23N5OS2/c26-19(24-10-8-23(9-11-24)13-17-4-12-27-15-17)16-28-20-22-6-7-25(20)14-18-3-1-2-5-21-18/h1-7,12,15H,8-11,13-14,16H2
InChIKeyNFIOYMICRJLXPA-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.82
Rot. Bonds7

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

2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 86944043) has the molecular formula C20H23N5OS2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID86944043
Molecular FormulaC20H23N5OS2
Molecular Weight413.57 g/mol
Exact Mass413.13
IUPAC Name2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1nccn1Cc1ccccn1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H23N5OS2/c26-19(24-10-8-23(9-11-24)13-17-4-12-27-15-17)16-28-20-22-6-7-25(20)14-18-3-1-2-5-21-18/h1-7,12,15H,8-11,13-14,16H2
InChIKeyNFIOYMICRJLXPA-UHFFFAOYSA-N
XLogP2.82
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53499414
2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180639
2-(1-benzylimidazol-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 9267787
2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]sulfanylacetic acid
CID 104569508
1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 97270600
1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-2-(triazol-1-yl)ethanone
CID 127417304
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 90647769
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
3-indol-1-yl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 24505236
5-(pyridin-2-ylmethyl)-2-(thiophen-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;tris(2,2,2-trifluoroacetic acid)
CID 155829161
5-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 54874778
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (CID 86944043) is 2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is O=C(CSc1nccn1Cc1ccccn1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is NFIOYMICRJLXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS2/c26-19(24-10-8-23(9-11-24)13-17-4-12-27-15-17)16-28-20-22-6-7-25(20)14-18-3-1-2-5-21-18/h1-7,12,15H,8-11,13-14,16H2.
What are the key properties of 2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 413.57 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86944043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).