2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol

C20H21N3O3S — CID 58237053

About 2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol

2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol (PubChem CID 58237053) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol.

Molecular Properties

• Compound Name: 2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
• PubChem CID: 58237053
• Molecular Formula: C20H21N3O3S
• Molecular Weight: 383.47 g/mol
• Exact Mass: 383.13
• IUPAC Name: 2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
• SMILES: COc1cc(Oc2ccc(C)cn2)cc2cc(C3=NCC(CCO)S3)[nH]c12
• InChI: InChI=1S/C20H21N3O3S/c1-12-3-4-18(21-10-12)26-14-7-13-8-16(23-19(13)17(9-14)25-2)20-22-11-15(27-20)5-6-24/h3-4,7-10,15,23-24H,5-6,11H2,1-2H3
• InChIKey: OPDUIXIEDBNMSS-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 79.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.47
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?

The IUPAC name of 2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol (CID 58237053) is 2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol.

What is the SMILES notation for 2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?

The canonical SMILES for 2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol is COc1cc(Oc2ccc(C)cn2)cc2cc(C3=NCC(CCO)S3)[nH]c12.

What is the InChIKey of 2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?

The InChIKey is OPDUIXIEDBNMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-12-3-4-18(21-10-12)26-14-7-13-8-16(23-19(13)17(9-14)25-2)20-22-11-15(27-20)5-6-24/h3-4,7-10,15,23-24H,5-6,11H2,1-2H3.

What are the key properties of 2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?

2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol has a molecular weight of 383.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 58237053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).