methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate

C20H19N3O4S — CID 90531798

About methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate

methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate (PubChem CID 90531798) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate.

Molecular Properties

• Compound Name: methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate
• PubChem CID: 90531798
• Molecular Formula: C20H19N3O4S
• Molecular Weight: 397.46 g/mol
• Exact Mass: 397.11
• IUPAC Name: methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate
• SMILES: COC(=O)c1ccc(CN2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1
• InChI: InChI=1S/C20H19N3O4S/c1-26-19(25)14-4-2-13(3-5-14)10-23-8-6-16-17(11-23)28-20(21-16)22-18(24)15-7-9-27-12-15/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,21,22,24)
• InChIKey: VMZDDGLCOUIYPG-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate?

The IUPAC name of methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate (CID 90531798) is methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate.

What is the SMILES notation for methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate?

The canonical SMILES for methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1.

What is the InChIKey of methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate?

The InChIKey is VMZDDGLCOUIYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-26-19(25)14-4-2-13(3-5-14)10-23-8-6-16-17(11-23)28-20(21-16)22-18(24)15-7-9-27-12-15/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,21,22,24).

What are the key properties of methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate?

methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate has a molecular weight of 397.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[[2-(furan-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate is sourced from PubChem (CID 90531798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).