2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C16H18N4OS — CID 126621193

IUPAC2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccccn1)Nc1nnc(C2CC3(CCC3)C2)s1
InChIInChI=1S/C16H18N4OS/c21-13(8-12-4-1-2-7-17-12)18-15-20-19-14(22-15)11-9-16(10-11)5-3-6-16/h1-2,4,7,11H,3,5-6,8-10H2,(H,18,20,21)
InChIKeyWHCVCSTYVZPWKZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.16
Rot. Bonds4

About 2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 126621193) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID126621193
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccccn1)Nc1nnc(C2CC3(CCC3)C2)s1
InChIInChI=1S/C16H18N4OS/c21-13(8-12-4-1-2-7-17-12)18-15-20-19-14(22-15)11-9-16(10-11)5-3-6-16/h1-2,4,7,11H,3,5-6,8-10H2,(H,18,20,21)
InChIKeyWHCVCSTYVZPWKZ-UHFFFAOYSA-N
XLogP3.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163298
N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 144630964
N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 118444063
N-[5-[(1R,3R)-3-[5-[(2-pyrazin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 118444092
2-(1-methylpyrazol-3-yl)-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide;2-(1-methylpyrazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 144953790
2-pyridin-2-yl-N-[5-[[(1S,3R)-3-[5-(pyridin-2-ylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118492656
2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide
CID 146202142
N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 118492664
N-[(1E,3Z)-1,4-diamino-5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]penta-1,3-dienyl]-2-phenylacetamide
CID 146202105
2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118492584
[(E)-1-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]but-1-enyl] N'-methyl-N-(2-pyridin-2-ylacetyl)carbamimidothioate
CID 144630770
N-[6-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclobutyl]methyl]pyridazin-3-yl]-2-pyridin-2-ylacetamide
CID 118484212

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 126621193) is 2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(Cc1ccccn1)Nc1nnc(C2CC3(CCC3)C2)s1.
What is the InChIKey of 2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WHCVCSTYVZPWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-13(8-12-4-1-2-7-17-12)18-15-20-19-14(22-15)11-9-16(10-11)5-3-6-16/h1-2,4,7,11H,3,5-6,8-10H2,(H,18,20,21).
What are the key properties of 2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 314.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 126621193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).