methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C18H17N3O5S — CID 40946616

About methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 40946616) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
• PubChem CID: 40946616
• Molecular Formula: C18H17N3O5S
• Molecular Weight: 387.42 g/mol
• Exact Mass: 387.09
• IUPAC Name: methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
• SMILES: COC(=O)N1CCc2nc(NC(=O)c3cc4cccc(OC)c4o3)sc2C1
• InChI: InChI=1S/C18H17N3O5S/c1-24-12-5-3-4-10-8-13(26-15(10)12)16(22)20-17-19-11-6-7-21(18(23)25-2)9-14(11)27-17/h3-5,8H,6-7,9H2,1-2H3,(H,19,20,22)
• InChIKey: GZMIYSFPCTVWDZ-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.42
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?

The IUPAC name of methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 40946616) is methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

What is the SMILES notation for methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?

The canonical SMILES for methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is COC(=O)N1CCc2nc(NC(=O)c3cc4cccc(OC)c4o3)sc2C1.

What is the InChIKey of methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?

The InChIKey is GZMIYSFPCTVWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-24-12-5-3-4-10-8-13(26-15(10)12)16(22)20-17-19-11-6-7-21(18(23)25-2)9-14(11)27-17/h3-5,8H,6-7,9H2,1-2H3,(H,19,20,22).

What are the key properties of methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?

methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 40946616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).