[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone

C12H13N3O2S2 — CID 131703387

IUPAC[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Oc2nncs2)CC1
InChIInChI=1S/C12H13N3O2S2/c16-11(10-2-1-7-18-10)15-5-3-9(4-6-15)17-12-14-13-8-19-12/h1-2,7-9H,3-6H2
InChIKeyCBFYSJGXIWTKJT-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.28
Rot. Bonds3

About [4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone

[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 131703387) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is [4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID131703387
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Oc2nncs2)CC1
InChIInChI=1S/C12H13N3O2S2/c16-11(10-2-1-7-18-10)15-5-3-9(4-6-15)17-12-14-13-8-19-12/h1-2,7-9H,3-6H2
InChIKeyCBFYSJGXIWTKJT-UHFFFAOYSA-N
XLogP2.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

thiophen-2-yl-(4-thiophen-3-yloxypiperidin-1-yl)methanone
CID 122246200
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 91627208
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871086
2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 91904278
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone (CID 131703387) is [4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(Oc2nncs2)CC1.
What is the InChIKey of [4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is CBFYSJGXIWTKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c16-11(10-2-1-7-18-10)15-5-3-9(4-6-15)17-12-14-13-8-19-12/h1-2,7-9H,3-6H2.
What are the key properties of [4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 295.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 131703387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).