3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide

C17H22N4O2S2 — CID 55931373

IUPAC3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
SMILESCCC(NC(=O)N1CCCC(C(=O)Nc2nccs2)C1)c1cccs1
InChIInChI=1S/C17H22N4O2S2/c1-2-13(14-6-4-9-24-14)19-17(23)21-8-3-5-12(11-21)15(22)20-16-18-7-10-25-16/h4,6-7,9-10,12-13H,2-3,5,8,11H2,1H3,(H,19,23)(H,18,20,22)
InChIKeyZSOLCTNEVJQOIR-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.72
Rot. Bonds5

About 3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide

3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide (PubChem CID 55931373) has the molecular formula C17H22N4O2S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
PubChem CID55931373
Molecular FormulaC17H22N4O2S2
Molecular Weight378.52 g/mol
Exact Mass378.12
IUPAC Name3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
SMILESCCC(NC(=O)N1CCCC(C(=O)Nc2nccs2)C1)c1cccs1
InChIInChI=1S/C17H22N4O2S2/c1-2-13(14-6-4-9-24-14)19-17(23)21-8-3-5-12(11-21)15(22)20-16-18-7-10-25-16/h4,6-7,9-10,12-13H,2-3,5,8,11H2,1H3,(H,19,23)(H,18,20,22)
InChIKeyZSOLCTNEVJQOIR-UHFFFAOYSA-N
XLogP3.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
CID 126425885
(3R)-N-(1,3-thiazol-2-yl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 94131967
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 56540283
1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51125247
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 60547485
1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811121
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide (CID 55931373) is 3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide is CCC(NC(=O)N1CCCC(C(=O)Nc2nccs2)C1)c1cccs1.
What is the InChIKey of 3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide?
The InChIKey is ZSOLCTNEVJQOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S2/c1-2-13(14-6-4-9-24-14)19-17(23)21-8-3-5-12(11-21)15(22)20-16-18-7-10-25-16/h4,6-7,9-10,12-13H,2-3,5,8,11H2,1H3,(H,19,23)(H,18,20,22).
What are the key properties of 3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide?
3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55931373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).