[4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate

C22H19ClN2O5S2 — CID 126662730

About [4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate

[4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate (PubChem CID 126662730) has the molecular formula C22H19ClN2O5S2 and a molecular weight of 490.99 g/mol. Its IUPAC name is [4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate.

Molecular Properties

• Compound Name: [4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate
• PubChem CID: 126662730
• Molecular Formula: C22H19ClN2O5S2
• Molecular Weight: 490.99 g/mol
• Exact Mass: 490.04
• IUPAC Name: [4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate
• SMILES: CCOC(=O)Oc1cnc(N)c2c(COc3cccc(OCc4ccc(Cl)s4)c3)csc12
• InChI: InChI=1S/C22H19ClN2O5S2/c1-2-27-22(26)30-17-9-25-21(24)19-13(12-31-20(17)19)10-28-14-4-3-5-15(8-14)29-11-16-6-7-18(23)32-16/h3-9,12H,2,10-11H2,1H3,(H2,24,25)
• InChIKey: QISJPRGYNMKLEX-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 92.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.99
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate?

The IUPAC name of [4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate (CID 126662730) is [4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate.

What is the SMILES notation for [4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate?

The canonical SMILES for [4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate is CCOC(=O)Oc1cnc(N)c2c(COc3cccc(OCc4ccc(Cl)s4)c3)csc12.

What is the InChIKey of [4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate?

The InChIKey is QISJPRGYNMKLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5S2/c1-2-27-22(26)30-17-9-25-21(24)19-13(12-31-20(17)19)10-28-14-4-3-5-15(8-14)29-11-16-6-7-18(23)32-16/h3-9,12H,2,10-11H2,1H3,(H2,24,25).

What are the key properties of [4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate?

[4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate has a molecular weight of 490.99 g/mol, XLogP of 6.29, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate is sourced from PubChem (CID 126662730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).