2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

C22H24N8O4S2 — CID 90163309

About 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 90163309) has the molecular formula C22H24N8O4S2 and a molecular weight of 528.62 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 90163309
• Molecular Formula: C22H24N8O4S2
• Molecular Weight: 528.62 g/mol
• Exact Mass: 528.14
• IUPAC Name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: Cc1cc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5cc(C)no5)s4)C3)s2)on1
• InChI: InChI=1S/C22H24N8O4S2/c1-11-6-15(33-29-11)9-17(31)23-21-27-25-19(35-21)13-4-3-5-14(8-13)20-26-28-22(36-20)24-18(32)10-16-7-12(2)30-34-16/h6-7,13-14H,3-5,8-10H2,1-2H3,(H,23,27,31)(H,24,28,32)/t13-,14-/m0/s1
• InChIKey: STELYLAAZUWMGB-KBPBESRZSA-N
• XLogP: 3.79
• TPSA: 161.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.62
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 90163309) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.

What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?

The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is Cc1cc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5cc(C)no5)s4)C3)s2)on1.

What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?

The InChIKey is STELYLAAZUWMGB-KBPBESRZSA-N. The full InChI is InChI=1S/C22H24N8O4S2/c1-11-6-15(33-29-11)9-17(31)23-21-27-25-19(35-21)13-4-3-5-14(8-13)20-26-28-22(36-20)24-18(32)10-16-7-12(2)30-34-16/h6-7,13-14H,3-5,8-10H2,1-2H3,(H,23,27,31)(H,24,28,32)/t13-,14-/m0/s1.

What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?

2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 528.62 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 90163309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).