3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

C13H22N4O2S — CID 47399494

IUPAC3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)Nc2nnc(C(C)C)s2)C1
InChIInChI=1S/C13H22N4O2S/c1-4-19-10-6-5-7-17(8-10)13(18)14-12-16-15-11(20-12)9(2)3/h9-10H,4-8H2,1-3H3,(H,14,16,18)
InChIKeyKDWGLGLPDQXVCL-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.69
Rot. Bonds4

About 3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 47399494) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID47399494
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)Nc2nnc(C(C)C)s2)C1
InChIInChI=1S/C13H22N4O2S/c1-4-19-10-6-5-7-17(8-10)13(18)14-12-16-15-11(20-12)9(2)3/h9-10H,4-8H2,1-3H3,(H,14,16,18)
InChIKeyKDWGLGLPDQXVCL-UHFFFAOYSA-N
XLogP2.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 110890992
1-[[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122079659
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
N-cyclohexyl-3-ethoxypiperidine-1-carboxamide
CID 115592808
4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 943863
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65221372
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107839176
3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76926876
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221277
(3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 47736836
(3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 95614996

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 47399494) is 3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is CCOC1CCCN(C(=O)Nc2nnc(C(C)C)s2)C1.
What is the InChIKey of 3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is KDWGLGLPDQXVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-19-10-6-5-7-17(8-10)13(18)14-12-16-15-11(20-12)9(2)3/h9-10H,4-8H2,1-3H3,(H,14,16,18).
What are the key properties of 3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 47399494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).