ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

C16H14N4O4S2 — CID 121465032

About ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 121465032) has the molecular formula C16H14N4O4S2 and a molecular weight of 390.45 g/mol. Its IUPAC name is ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
• PubChem CID: 121465032
• Molecular Formula: C16H14N4O4S2
• Molecular Weight: 390.45 g/mol
• Exact Mass: 390.05
• IUPAC Name: ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
• SMILES: CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ncc(C)cc2s1
• InChI: InChI=1S/C16H14N4O4S2/c1-3-24-16(23)20-12(21)9-4-5-25-14(9)19-13(22)15-18-11-10(26-15)6-8(2)7-17-11/h4-7H,3H2,1-2H3,(H,19,22)(H,20,21,23)
• InChIKey: WJEYBONIIJNMEU-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 110.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.45
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The IUPAC name of ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 121465032) is ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

What is the SMILES notation for ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The canonical SMILES for ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ncc(C)cc2s1.

What is the InChIKey of ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The InChIKey is WJEYBONIIJNMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S2/c1-3-24-16(23)20-12(21)9-4-5-25-14(9)19-13(22)15-18-11-10(26-15)6-8(2)7-17-11/h4-7H,3H2,1-2H3,(H,19,22)(H,20,21,23).

What are the key properties of ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 390.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121465032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).