1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide

C16H20N4O2S2 — CID 75449615

IUPAC1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3cccs3)ns2)CC1
InChIInChI=1S/C16H20N4O2S2/c1-10(2)15(22)20-7-5-11(6-8-20)14(21)18-16-17-13(19-24-16)12-4-3-9-23-12/h3-4,9-11H,5-8H2,1-2H3,(H,17,18,19,21)
InChIKeySEIYGBPPGUVWOS-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.10
Rot. Bonds4

About 1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide (PubChem CID 75449615) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
PubChem CID75449615
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC Name1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3cccs3)ns2)CC1
InChIInChI=1S/C16H20N4O2S2/c1-10(2)15(22)20-7-5-11(6-8-20)14(21)18-16-17-13(19-24-16)12-4-3-9-23-12/h3-4,9-11H,5-8H2,1-2H3,(H,17,18,19,21)
InChIKeySEIYGBPPGUVWOS-UHFFFAOYSA-N
XLogP3.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methyl-1-[4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one
CID 24804103
1-{[3-(2-Thienyl)-1,2,4-oxadiazol-5-yl]methyl}-4-piperidinecarboxamide
CID 2811320
3-Methyl-1-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]butan-1-one
CID 24804102
4-(3-(Thien-2-yl)-1,2,4-oxadiazol-5-yl)piperidine
CID 2761144
(2s)-2-Amino-3-Methyl-1-{4-[3-(Thiophen-2-Yl)-1,2,4-Oxadiazol-5-Yl]piperidin-1-Yl}butan-1-One
CID 52952505
1-[4-[3-(2-Thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]butan-1-one
CID 52952409
1-[4-[3-(2-Thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]pentan-1-one
CID 52952410
1-[4-(3-Thiophen-2-yl[1,2,4]oxadiazol-5-yl)-piperid-1-yl]ethanone
CID 2742017
1-[4-[3-(2-Thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]propan-1-one
CID 24803933
3,3-Dimethyl-1-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]butan-1-one
CID 24804100
(S)-2-Amino-4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-piperidin-1-yl]-pentan-1-one Hydrochloride
CID 52952507
4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 52952728

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide (CID 75449615) is 1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3cccs3)ns2)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide?
The InChIKey is SEIYGBPPGUVWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-10(2)15(22)20-7-5-11(6-8-20)14(21)18-16-17-13(19-24-16)12-4-3-9-23-12/h3-4,9-11H,5-8H2,1-2H3,(H,17,18,19,21).
What are the key properties of 1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide has a molecular weight of 364.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 75449615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).