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

C14H16ClN3O2S2 — CID 3239213

IUPAC2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C14H16ClN3O2S2/c1-9-4-2-3-7-18(9)12(19)8-21-14-17-16-13(20-14)10-5-6-11(15)22-10/h5-6,9H,2-4,7-8H2,1H3
InChIKeyVSISXXIZZNUZKP-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.94
Rot. Bonds4

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

2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 3239213) has the molecular formula C14H16ClN3O2S2 and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID3239213
Molecular FormulaC14H16ClN3O2S2
Molecular Weight357.89 g/mol
Exact Mass357.04
IUPAC Name2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C14H16ClN3O2S2/c1-9-4-2-3-7-18(9)12(19)8-21-14-17-16-13(20-14)10-5-6-11(15)22-10/h5-6,9H,2-4,7-8H2,1H3
InChIKeyVSISXXIZZNUZKP-UHFFFAOYSA-N
XLogP3.94
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone (CID 3239213) is 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)s2)o1.
What is the InChIKey of 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is VSISXXIZZNUZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S2/c1-9-4-2-3-7-18(9)12(19)8-21-14-17-16-13(20-14)10-5-6-11(15)22-10/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 357.89 g/mol, XLogP of 3.94, 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-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3239213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).