N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide

C18H18N6O2S2 — CID 1172107

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide (PubChem CID 1172107) has the molecular formula C18H18N6O2S2 and a molecular weight of 414.52 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
• PubChem CID: 1172107
• Molecular Formula: C18H18N6O2S2
• Molecular Weight: 414.52 g/mol
• Exact Mass: 414.09
• IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
• SMILES: CCc1nnc(NC(=O)CSc2nnc3c(C)cc4cc(OC)ccc4n23)s1
• InChI: InChI=1S/C18H18N6O2S2/c1-4-15-20-22-17(28-15)19-14(25)9-27-18-23-21-16-10(2)7-11-8-12(26-3)5-6-13(11)24(16)18/h5-8H,4,9H2,1-3H3,(H,19,22,25)
• InChIKey: SRQYLSNEPIIKMG-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.52
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?

The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide (CID 1172107) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?

The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nnc3c(C)cc4cc(OC)ccc4n23)s1.

What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?

The InChIKey is SRQYLSNEPIIKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S2/c1-4-15-20-22-17(28-15)19-14(25)9-27-18-23-21-16-10(2)7-11-8-12(26-3)5-6-13(11)24(16)18/h5-8H,4,9H2,1-3H3,(H,19,22,25).

What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide?

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide has a molecular weight of 414.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide is sourced from PubChem (CID 1172107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).