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

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

2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol (PubChem CID 67118480) has the molecular formula C22H24FN3O6S2 and a molecular weight of 509.58 g/mol. Its IUPAC name is 2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name	2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
PubChem CID	67118480
Molecular Formula	C22H24FN3O6S2
Molecular Weight	509.58 g/mol
Exact Mass	509.11
IUPAC Name	2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
SMILES	COCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(CCO)S3)[nH]c12
InChI	InChI=1S/C22H24FN3O6S2/c1-30-7-8-31-21-19(23)17(32-14-3-4-18(24-11-14)34(2,28)29)10-13-9-16(26-20(13)21)22-25-12-15(33-22)5-6-27/h3-4,9-11,15,26-27H,5-8,12H2,1-2H3
InChIKey	WXYUANYBJRLMOD-UHFFFAOYSA-N
XLogP	3.17
TPSA	123.10 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	10
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.58
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol (CID 67118480) is 2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol.

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

The canonical SMILES for 2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol is COCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(CCO)S3)[nH]c12.

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

The InChIKey is WXYUANYBJRLMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O6S2/c1-30-7-8-31-21-19(23)17(32-14-3-4-18(24-11-14)34(2,28)29)10-13-9-16(26-20(13)21)22-25-12-15(33-22)5-6-27/h3-4,9-11,15,26-27H,5-8,12H2,1-2H3.

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

2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol has a molecular weight of 509.58 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 67118480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).