2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C15H26N4O2S — CID 124854593

IUPAC2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCO[C@H]1CCCN(CC(=O)Nc2nnc(CCC)s2)C1
InChIInChI=1S/C15H26N4O2S/c1-3-6-14-17-18-15(22-14)16-13(20)11-19-8-5-7-12(10-19)21-9-4-2/h12H,3-11H2,1-2H3,(H,16,18,20)/t12-/m0/s1
InChIKeyXOQASGSNYFNBSD-LBPRGKRZSA-N
MW326.47 g/mol
LogP2.32
Rot. Bonds8

About 2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 124854593) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID124854593
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCO[C@H]1CCCN(CC(=O)Nc2nnc(CCC)s2)C1
InChIInChI=1S/C15H26N4O2S/c1-3-6-14-17-18-15(22-14)16-13(20)11-19-8-5-7-12(10-19)21-9-4-2/h12H,3-11H2,1-2H3,(H,16,18,20)/t12-/m0/s1
InChIKeyXOQASGSNYFNBSD-LBPRGKRZSA-N
XLogP2.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-2-(3-propoxypiperidin-1-yl)acetamide
CID 54990386
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125163722
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 91829347
1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
CID 107507196
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
CID 91842233
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ylacetamide
CID 19164251
2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 29132499
(3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
CID 99778298
2-(1-methyl-2-oxo-1,8-diazaspiro[4.5]decan-8-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 91831240
N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide
CID 86987716
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 84563449

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 124854593) is 2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCO[C@H]1CCCN(CC(=O)Nc2nnc(CCC)s2)C1.
What is the InChIKey of 2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XOQASGSNYFNBSD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-3-6-14-17-18-15(22-14)16-13(20)11-19-8-5-7-12(10-19)21-9-4-2/h12H,3-11H2,1-2H3,(H,16,18,20)/t12-/m0/s1.
What are the key properties of 2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 326.47 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 124854593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).