2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C24H21N5O2S2 — CID 1135734

About 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1135734) has the molecular formula C24H21N5O2S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 1135734
• Molecular Formula: C24H21N5O2S2
• Molecular Weight: 475.60 g/mol
• Exact Mass: 475.11
• IUPAC Name: 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
• SMILES: COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N(C)c3nc(-c4ccccc4)cs3)n12
• InChI: InChI=1S/C24H21N5O2S2/c1-15-11-17-12-18(31-3)9-10-20(17)29-22(15)26-27-24(29)33-14-21(30)28(2)23-25-19(13-32-23)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3
• InChIKey: DLPNYXAJRXKNEW-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 72.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.60
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 1135734) is 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N(C)c3nc(-c4ccccc4)cs3)n12.

What is the InChIKey of 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is DLPNYXAJRXKNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S2/c1-15-11-17-12-18(31-3)9-10-20(17)29-22(15)26-27-24(29)33-14-21(30)28(2)23-25-19(13-32-23)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3.

What are the key properties of 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?

2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 475.60 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1135734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).