2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide

C26H30N4O5S — CID 66725932

About 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide

2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide (PubChem CID 66725932) has the molecular formula C26H30N4O5S and a molecular weight of 510.62 g/mol. Its IUPAC name is 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide
• PubChem CID: 66725932
• Molecular Formula: C26H30N4O5S
• Molecular Weight: 510.62 g/mol
• Exact Mass: 510.19
• IUPAC Name: 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide
• SMILES: CNC(=O)CC1CN=C(c2cc3cc(Oc4ccc(COC)nc4)cc(OC4CCOCC4)c3[nH]2)S1
• InChI: InChI=1S/C26H30N4O5S/c1-27-24(31)12-21-14-29-26(36-21)22-10-16-9-20(34-19-4-3-17(15-32-2)28-13-19)11-23(25(16)30-22)35-18-5-7-33-8-6-18/h3-4,9-11,13,18,21,30H,5-8,12,14-15H2,1-2H3,(H,27,31)
• InChIKey: TTXSFRIBWSTQSB-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 107.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.62
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide?

The IUPAC name of 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide (CID 66725932) is 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide.

What is the SMILES notation for 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide?

The canonical SMILES for 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide is CNC(=O)CC1CN=C(c2cc3cc(Oc4ccc(COC)nc4)cc(OC4CCOCC4)c3[nH]2)S1.

What is the InChIKey of 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide?

The InChIKey is TTXSFRIBWSTQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5S/c1-27-24(31)12-21-14-29-26(36-21)22-10-16-9-20(34-19-4-3-17(15-32-2)28-13-19)11-23(25(16)30-22)35-18-5-7-33-8-6-18/h3-4,9-11,13,18,21,30H,5-8,12,14-15H2,1-2H3,(H,27,31).

What are the key properties of 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide?

2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide has a molecular weight of 510.62 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 66725932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).