2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide

C25H30N4O7S2 — CID 123699230

About 2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide

2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide (PubChem CID 123699230) has the molecular formula C25H30N4O7S2 and a molecular weight of 562.67 g/mol. Its IUPAC name is 2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: 2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide
• PubChem CID: 123699230
• Molecular Formula: C25H30N4O7S2
• Molecular Weight: 562.67 g/mol
• Exact Mass: 562.16
• IUPAC Name: 2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide
• SMILES: COCC(COC)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(C(C)C(N)=O)S3)[nH]c12
• InChI: InChI=1S/C25H30N4O7S2/c1-14(24(26)30)21-11-28-25(37-21)19-8-15-7-17(35-16-5-6-22(27-10-16)38(4,31)32)9-20(23(15)29-19)36-18(12-33-2)13-34-3/h5-10,14,18,21,29H,11-13H2,1-4H3,(H2,26,30)
• InChIKey: IIVPVASTUCVEHT-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 155.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.67
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide (CID 123699230) is 2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide.

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

The canonical SMILES for 2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide is COCC(COC)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(C(C)C(N)=O)S3)[nH]c12.

What is the InChIKey of 2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide?

The InChIKey is IIVPVASTUCVEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O7S2/c1-14(24(26)30)21-11-28-25(37-21)19-8-15-7-17(35-16-5-6-22(27-10-16)38(4,31)32)9-20(23(15)29-19)36-18(12-33-2)13-34-3/h5-10,14,18,21,29H,11-13H2,1-4H3,(H2,26,30).

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

2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide has a molecular weight of 562.67 g/mol, XLogP of 2.78, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide is sourced from PubChem (CID 123699230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).