2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide

C15H14ClN5OS — CID 110401373

About 2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide

2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide (PubChem CID 110401373) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide
• PubChem CID: 110401373
• Molecular Formula: C15H14ClN5OS
• Molecular Weight: 347.83 g/mol
• Exact Mass: 347.06
• IUPAC Name: 2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide
• SMILES: O=C(Cc1ccc(Cl)cc1)NCc1nn2c(C3CC3)nnc2s1
• InChI: InChI=1S/C15H14ClN5OS/c16-11-5-1-9(2-6-11)7-12(22)17-8-13-20-21-14(10-3-4-10)18-19-15(21)23-13/h1-2,5-6,10H,3-4,7-8H2,(H,17,22)
• InChIKey: AOXCLJKVLIHEGM-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.83
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide (CID 110401373) is 2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCc1nn2c(C3CC3)nnc2s1.

What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide?

The InChIKey is AOXCLJKVLIHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c16-11-5-1-9(2-6-11)7-12(22)17-8-13-20-21-14(10-3-4-10)18-19-15(21)23-13/h1-2,5-6,10H,3-4,7-8H2,(H,17,22).

What are the key properties of 2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide?

2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide has a molecular weight of 347.83 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]acetamide is sourced from PubChem (CID 110401373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).