2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide

C25H28N8O2S2 — CID 138481150

IUPAC2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCC[C@H](C[C@@H](C)c1nnc(NC(=O)Cc2ccccn2)s1)c1nnc(NC(=O)Cc2ccccn2)s1
InChIInChI=1S/C25H28N8O2S2/c1-3-8-17(23-31-33-25(37-23)29-21(35)15-19-10-5-7-12-27-19)13-16(2)22-30-32-24(36-22)28-20(34)14-18-9-4-6-11-26-18/h4-7,9-12,16-17H,3,8,13-15H2,1-2H3,(H,28,32,34)(H,29,33,35)/t16-,17-/m1/s1
InChIKeyWAOZXNMTMRGBJW-IAGOWNOFSA-N
MW536.69 g/mol
LogP4.62
Rot. Bonds12

About 2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide

2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 138481150) has the molecular formula C25H28N8O2S2 and a molecular weight of 536.69 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID138481150
Molecular FormulaC25H28N8O2S2
Molecular Weight536.69 g/mol
Exact Mass536.18
IUPAC Name2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCC[C@H](C[C@@H](C)c1nnc(NC(=O)Cc2ccccn2)s1)c1nnc(NC(=O)Cc2ccccn2)s1
InChIInChI=1S/C25H28N8O2S2/c1-3-8-17(23-31-33-25(37-23)29-21(35)15-19-10-5-7-12-27-19)13-16(2)22-30-32-24(36-22)28-20(34)14-18-9-4-6-11-26-18/h4-7,9-12,16-17H,3,8,13-15H2,1-2H3,(H,28,32,34)(H,29,33,35)/t16-,17-/m1/s1
InChIKeyWAOZXNMTMRGBJW-IAGOWNOFSA-N
XLogP4.62
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.69
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide with MolForge

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Related Compounds

2-(1,3-benzodioxol-4-yl)-N-[5-[(2S)-4-[5-[[2-(1,3-benzodioxol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 138481114
2-pyridin-2-yl-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfinyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74767870
N-(4-hydroxybutan-2-yl)-2-pyridin-2-ylacetamide
CID 83188668
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-pentan-2-yl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 2963228
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
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
2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 126621193
4-methyl-1-pyridin-2-ylheptan-2-one
CID 62620777
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 18093750
2-(3-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18076264

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide (CID 138481150) is 2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide is CCC[C@H](C[C@@H](C)c1nnc(NC(=O)Cc2ccccn2)s1)c1nnc(NC(=O)Cc2ccccn2)s1.
What is the InChIKey of 2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is WAOZXNMTMRGBJW-IAGOWNOFSA-N. The full InChI is InChI=1S/C25H28N8O2S2/c1-3-8-17(23-31-33-25(37-23)29-21(35)15-19-10-5-7-12-27-19)13-16(2)22-30-32-24(36-22)28-20(34)14-18-9-4-6-11-26-18/h4-7,9-12,16-17H,3,8,13-15H2,1-2H3,(H,28,32,34)(H,29,33,35)/t16-,17-/m1/s1.
What are the key properties of 2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide?
2-pyridin-2-yl-N-[5-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 536.69 g/mol, XLogP of 4.62, 12 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-[(2R,4R)-4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]heptan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 138481150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).