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

C22H22N8OS2 — CID 118492656

IUPAC2-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
SMILESO=C(Cc1ccccn1)Nc1nnc(C[C@H]2CC[C@@H](c3nnc(Nc4ccccn4)s3)C2)s1
InChIInChI=1S/C22H22N8OS2/c31-18(13-16-5-1-3-9-23-16)26-22-29-27-19(32-22)12-14-7-8-15(11-14)20-28-30-21(33-20)25-17-6-2-4-10-24-17/h1-6,9-10,14-15H,7-8,11-13H2,(H,24,25,30)(H,26,29,31)/t14-,15+/m0/s1
InChIKeyODWXNGAWUPIHRJ-LSDHHAIUSA-N
MW478.61 g/mol
LogP4.23
Rot. Bonds8

About 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

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 (PubChem CID 118492656) has the molecular formula C22H22N8OS2 and a molecular weight of 478.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID118492656
Molecular FormulaC22H22N8OS2
Molecular Weight478.61 g/mol
Exact Mass478.14
IUPAC Name2-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
SMILESO=C(Cc1ccccn1)Nc1nnc(C[C@H]2CC[C@@H](c3nnc(Nc4ccccn4)s3)C2)s1
InChIInChI=1S/C22H22N8OS2/c31-18(13-16-5-1-3-9-23-16)26-22-29-27-19(32-22)12-14-7-8-15(11-14)20-28-30-21(33-20)25-17-6-2-4-10-24-17/h1-6,9-10,14-15H,7-8,11-13H2,(H,24,25,30)(H,26,29,31)/t14-,15+/m0/s1
InChIKeyODWXNGAWUPIHRJ-LSDHHAIUSA-N
XLogP4.23
TPSA118.47 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 147368425
1-methyl-N-[5-[[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]imidazole-4-carboxamide
CID 118492734
N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 118492664
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-[[(1R,3S)-3-[5-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 153237683
2-methyl-N-[5-[(3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 146202136
N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide
CID 123791625
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cc1ccccn1)Nc1nnc(C[C@H]2CC[C@@H](c3nnc(Nc4ccccn4)s3)C2)s1.
What is the InChIKey of 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?
The InChIKey is ODWXNGAWUPIHRJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C22H22N8OS2/c31-18(13-16-5-1-3-9-23-16)26-22-29-27-19(32-22)12-14-7-8-15(11-14)20-28-30-21(33-20)25-17-6-2-4-10-24-17/h1-6,9-10,14-15H,7-8,11-13H2,(H,24,25,30)(H,26,29,31)/t14-,15+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 478.61 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118492656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).