2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone

C15H18ClN3O2S2 — CID 4286137

IUPAC2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)C1
InChIInChI=1S/C15H18ClN3O2S2/c1-9-5-10(2)7-19(6-9)13(20)8-22-15-18-17-14(21-15)11-3-4-12(16)23-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRBNZTCQQYDIQKV-UHFFFAOYSA-N
MW371.92 g/mol
LogP4.05
Rot. Bonds4

About 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 4286137) has the molecular formula C15H18ClN3O2S2 and a molecular weight of 371.92 g/mol. Its IUPAC name is 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID4286137
Molecular FormulaC15H18ClN3O2S2
Molecular Weight371.92 g/mol
Exact Mass371.05
IUPAC Name2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)C1
InChIInChI=1S/C15H18ClN3O2S2/c1-9-5-10(2)7-19(6-9)13(20)8-22-15-18-17-14(21-15)11-3-4-12(16)23-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRBNZTCQQYDIQKV-UHFFFAOYSA-N
XLogP4.05
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.92
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

1-(4-Methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 860214
1-Piperidin-1-yl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 865286
1-(2,6-Dimethylpiperidin-1-YL)-2-{[5-(thiophen-2-YL)-1,3,4-oxadiazol-2-YL]sulfanyl}ethanone
CID 2999658
1-(2-Methyl-piperidin-1-yl)-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 3186470
2-Ethyl-1-{[(5-thien-2-yl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 3236735
2-[[5-(5-Chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3239213
Ethyl 4-(2-((5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetyl)piperazine-1-carboxylate
CID 2155761
1-Morpholin-4-yl-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 865186
1-(3-Methyl-piperidin-1-yl)-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 3186471
1-({[5-(5-Chlorothien-2-yl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-2-ethylpiperidine
CID 3243563
4-({[5-(5-Chlorothien-2-yl)-1,3,4-oxadiazol-2-yl]thio}acetyl)morpholine
CID 866866
Ethyl 4-({[5-(5-chlorothien-2-yl)-1,3,4-oxadiazol-2-yl]thio}acetyl)piperazine-1-carboxylate
CID 2155773

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 4286137) is 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone is CC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)C1.
What is the InChIKey of 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is RBNZTCQQYDIQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S2/c1-9-5-10(2)7-19(6-9)13(20)8-22-15-18-17-14(21-15)11-3-4-12(16)23-11/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 371.92 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 4286137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).