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

C24H24N8O2S2 — CID 90163204

IUPAC2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1ccccn1)Nc1nnc([C@@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1
InChIInChI=1S/C24H24N8O2S2/c33-19(13-17-8-1-3-10-25-17)27-23-31-29-21(35-23)15-6-5-7-16(12-15)22-30-32-24(36-22)28-20(34)14-18-9-2-4-11-26-18/h1-4,8-11,15-16H,5-7,12-14H2,(H,27,31,33)(H,28,32,34)/t15-,16+
InChIKeyCUPLLOUFPFXVHV-IYBDPMFKSA-N
MW520.64 g/mol
LogP3.98
Rot. Bonds8

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

2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 90163204) has the molecular formula C24H24N8O2S2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID90163204
Molecular FormulaC24H24N8O2S2
Molecular Weight520.64 g/mol
Exact Mass520.15
IUPAC Name2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1ccccn1)Nc1nnc([C@@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1
InChIInChI=1S/C24H24N8O2S2/c33-19(13-17-8-1-3-10-25-17)27-23-31-29-21(35-23)15-6-5-7-16(12-15)22-30-32-24(36-22)28-20(34)14-18-9-2-4-11-26-18/h1-4,8-11,15-16H,5-7,12-14H2,(H,27,31,33)(H,28,32,34)/t15-,16+
InChIKeyCUPLLOUFPFXVHV-IYBDPMFKSA-N
XLogP3.98
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.64
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-[5-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982574
2-phenyl-N-[5-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982575
2-pyridin-2-yl-N-[5-[[(1S,2S)-2-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopropyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 76284405
2-pyridin-2-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163199
2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163202
2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163216
2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163218
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
2-pyridin-2-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163314
2-pyridin-2-yl-N-[5-[[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163425
5-[(3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-N-[[4-(trifluoromethyl)pyridin-2-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 124171210
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2475450

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 90163204) is 2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccccn1)Nc1nnc([C@@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.
What is the InChIKey of 2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is CUPLLOUFPFXVHV-IYBDPMFKSA-N. The full InChI is InChI=1S/C24H24N8O2S2/c33-19(13-17-8-1-3-10-25-17)27-23-31-29-21(35-23)15-6-5-7-16(12-15)22-30-32-24(36-22)28-20(34)14-18-9-2-4-11-26-18/h1-4,8-11,15-16H,5-7,12-14H2,(H,27,31,33)(H,28,32,34)/t15-,16+.
What are the key properties of 2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 520.64 g/mol, XLogP of 3.98, 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-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 90163204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).