2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide

C23H25FN4O5S2 — CID 58237030

About 2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide

2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide (PubChem CID 58237030) has the molecular formula C23H25FN4O5S2 and a molecular weight of 520.61 g/mol. Its IUPAC name is 2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide
• PubChem CID: 58237030
• Molecular Formula: C23H25FN4O5S2
• Molecular Weight: 520.61 g/mol
• Exact Mass: 520.13
• IUPAC Name: 2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide
• SMILES: CCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(CC(=O)NC)S3)[nH]c12
• InChI: InChI=1S/C23H25FN4O5S2/c1-4-7-32-22-20(24)17(33-14-5-6-19(26-11-14)35(3,30)31)9-13-8-16(28-21(13)22)23-27-12-15(34-23)10-18(29)25-2/h5-6,8-9,11,15,28H,4,7,10,12H2,1-3H3,(H,25,29)
• InChIKey: YVHRDYOFEFNYSM-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 122.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.61
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide (CID 58237030) is 2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide.

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

The canonical SMILES for 2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide is CCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(CC(=O)NC)S3)[nH]c12.

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

The InChIKey is YVHRDYOFEFNYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5S2/c1-4-7-32-22-20(24)17(33-14-5-6-19(26-11-14)35(3,30)31)9-13-8-16(28-21(13)22)23-27-12-15(34-23)10-18(29)25-2/h5-6,8-9,11,15,28H,4,7,10,12H2,1-3H3,(H,25,29).

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

2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide has a molecular weight of 520.61 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 58237030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).