1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide

C15H25N5O2S — CID 126789529

IUPAC1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(=O)Nc2nnc(C(C)(C)C)s2)C1
InChIInChI=1S/C15H25N5O2S/c1-15(2,3)13-18-19-14(23-13)17-11(21)9-20-7-5-6-10(8-20)12(22)16-4/h10H,5-9H2,1-4H3,(H,16,22)(H,17,19,21)
InChIKeyVSDINGUEYXSQQX-UHFFFAOYSA-N
MW339.47 g/mol
LogP1.23
Rot. Bonds4

About 1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide

1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 126789529) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide
PubChem CID126789529
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(=O)Nc2nnc(C(C)(C)C)s2)C1
InChIInChI=1S/C15H25N5O2S/c1-15(2,3)13-18-19-14(23-13)17-11(21)9-20-7-5-6-10(8-20)12(22)16-4/h10H,5-9H2,1-4H3,(H,16,22)(H,17,19,21)
InChIKeyVSDINGUEYXSQQX-UHFFFAOYSA-N
XLogP1.23
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 92626431
3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55978635
1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 91831492
(3R)-1-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 124750108
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
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide
CID 67953357
2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 29132499
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 67953358
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-cyclobutylpyrrolidine-2-carboxamide
CID 67953352
1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 166605733
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119279901

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide (CID 126789529) is 1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(CC(=O)Nc2nnc(C(C)(C)C)s2)C1.
What is the InChIKey of 1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is VSDINGUEYXSQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-15(2,3)13-18-19-14(23-13)17-11(21)9-20-7-5-6-10(8-20)12(22)16-4/h10H,5-9H2,1-4H3,(H,16,22)(H,17,19,21).
What are the key properties of 1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide?
1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 339.47 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 126789529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).