[3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone

C17H17N3O2S2 — CID 110235585

IUPAC[3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1ccc(-c2nnc(C3CCCN(C(=O)c4ccsc4)C3)o2)s1
InChIInChI=1S/C17H17N3O2S2/c1-11-4-5-14(24-11)16-19-18-15(22-16)12-3-2-7-20(9-12)17(21)13-6-8-23-10-13/h4-6,8,10,12H,2-3,7,9H2,1H3
InChIKeyDNCSAMYCGJTJKB-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.19
Rot. Bonds3

About [3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone

[3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 110235585) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is [3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID110235585
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name[3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1ccc(-c2nnc(C3CCCN(C(=O)c4ccsc4)C3)o2)s1
InChIInChI=1S/C17H17N3O2S2/c1-11-4-5-14(24-11)16-19-18-15(22-16)12-3-2-7-20(9-12)17(21)13-6-8-23-10-13/h4-6,8,10,12H,2-3,7,9H2,1H3
InChIKeyDNCSAMYCGJTJKB-UHFFFAOYSA-N
XLogP4.19
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 92559499
phenyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114576
(4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 97426971
(3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068792
(2-methyl-1-benzofuran-5-yl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92555028
(2-methyl-1-benzofuran-5-yl)-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92555029
(4-methylthiadiazol-5-yl)-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 97426996
(4-methylthiadiazol-5-yl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 72717117
(3-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114597
N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
(4-fluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 93492617
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 124971094

Frequently Asked Questions

What is the IUPAC name of [3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 110235585) is [3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone is Cc1ccc(-c2nnc(C3CCCN(C(=O)c4ccsc4)C3)o2)s1.
What is the InChIKey of [3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is DNCSAMYCGJTJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-11-4-5-14(24-11)16-19-18-15(22-16)12-3-2-7-20(9-12)17(21)13-6-8-23-10-13/h4-6,8,10,12H,2-3,7,9H2,1H3.
What are the key properties of [3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
[3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 359.48 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 110235585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).