N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C19H25N5OS — CID 110386071

About N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110386071) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

• Compound Name: N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
• PubChem CID: 110386071
• Molecular Formula: C19H25N5OS
• Molecular Weight: 371.51 g/mol
• Exact Mass: 371.18
• IUPAC Name: N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
• SMILES: CC(C)c1nnc2sc(CCC(=O)Nc3ccccc3C(C)(C)C)nn12
• InChI: InChI=1S/C19H25N5OS/c1-12(2)17-21-22-18-24(17)23-16(26-18)11-10-15(25)20-14-9-7-6-8-13(14)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,25)
• InChIKey: ULRCWZQYOPZURC-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.51
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?

The IUPAC name of N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110386071) is N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

What is the SMILES notation for N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?

The canonical SMILES for N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is CC(C)c1nnc2sc(CCC(=O)Nc3ccccc3C(C)(C)C)nn12.

What is the InChIKey of N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?

The InChIKey is ULRCWZQYOPZURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-12(2)17-21-22-18-24(17)23-16(26-18)11-10-15(25)20-14-9-7-6-8-13(14)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,25).

What are the key properties of N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?

N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 371.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-tert-butylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110386071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).