2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C19H18N6OS2 — CID 46305808

About 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 46305808) has the molecular formula C19H18N6OS2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 46305808
• Molecular Formula: C19H18N6OS2
• Molecular Weight: 410.53 g/mol
• Exact Mass: 410.10
• IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
• SMILES: Cc1ccc2nc(NC(=O)Cn3c(N)nnc3SCc3ccccc3)sc2c1
• InChI: InChI=1S/C19H18N6OS2/c1-12-7-8-14-15(9-12)28-18(21-14)22-16(26)10-25-17(20)23-24-19(25)27-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,20,23)(H,21,22,26)
• InChIKey: QBUCSRIDQHNWMN-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 98.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.53
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 46305808) is 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)Cn3c(N)nnc3SCc3ccccc3)sc2c1.

What is the InChIKey of 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is QBUCSRIDQHNWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS2/c1-12-7-8-14-15(9-12)28-18(21-14)22-16(26)10-25-17(20)23-24-19(25)27-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,20,23)(H,21,22,26).

What are the key properties of 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?

2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 410.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 46305808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).