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

C22H24FN3O4S2 — CID 143876588

IUPAC2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
SMILESCOCCOc1c(F)c(Oc2ccc(SC)nc2)cc2cc(C3=NCC(CCO)S3)[nH]c12
InChIInChI=1S/C22H24FN3O4S2/c1-28-7-8-29-21-19(23)17(30-14-3-4-18(31-2)24-11-14)10-13-9-16(26-20(13)21)22-25-12-15(32-22)5-6-27/h3-4,9-11,15,26-27H,5-8,12H2,1-2H3
InChIKeyKAJYZJGUCPHQHB-UHFFFAOYSA-N
MW477.58 g/mol
LogP4.49
Rot. Bonds10

About 2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfanyl-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-methylsulfanyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol (PubChem CID 143876588) has the molecular formula C22H24FN3O4S2 and a molecular weight of 477.58 g/mol. Its IUPAC name is 2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
PubChem CID143876588
Molecular FormulaC22H24FN3O4S2
Molecular Weight477.58 g/mol
Exact Mass477.12
IUPAC Name2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
SMILESCOCCOc1c(F)c(Oc2ccc(SC)nc2)cc2cc(C3=NCC(CCO)S3)[nH]c12
InChIInChI=1S/C22H24FN3O4S2/c1-28-7-8-29-21-19(23)17(30-14-3-4-18(31-2)24-11-14)10-13-9-16(26-20(13)21)22-25-12-15(32-22)5-6-27/h3-4,9-11,15,26-27H,5-8,12H2,1-2H3
InChIKeyKAJYZJGUCPHQHB-UHFFFAOYSA-N
XLogP4.49
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-(2-fluorophenoxy)-5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole
CID 16123470
7-(2-fluorophenoxy)-5-(4-methylsulfonylphenoxy)-2-pyrazin-2-yl-1H-indole
CID 16123471
7-(2,6-difluorophenoxy)-5-(4-methylsulfonylphenoxy)-2-pyrazin-2-yl-1H-indole
CID 16123582
7-(2,6-difluorophenoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indole
CID 16123583
7-(2,6-difluorophenoxy)-5-(4-ethylsulfonylphenoxy)-2-pyrazin-2-yl-1H-indole
CID 16123584
7-(2,6-difluorophenoxy)-5-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indole
CID 16123585
[(5R)-2-[5-[3-[(2S)-1-fluoropropan-2-yl]oxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol
CID 46841356
[(4R)-2-[5-[3-[(2S)-1-fluoropropan-2-yl]oxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 46841357
2-[(5S)-2-[5-[3-[(2S)-1-fluoropropan-2-yl]oxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]ethanol
CID 46841358
(1S)-1-[(5R)-2-[5-[3-[(2S)-1-fluoropropan-2-yl]oxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]ethane-1,2-diol
CID 46841359
(1S)-1-[2-[5-[3-[(2S)-1-fluoropropan-2-yl]oxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]ethane-1,2-diol
CID 56653018
5,5,5-trifluoro-1-[2-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]pentan-2-one
CID 58081021

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfanyl-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-methylsulfanyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol (CID 143876588) is 2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfanyl-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-methylsulfanyl-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-methylsulfanyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol is COCCOc1c(F)c(Oc2ccc(SC)nc2)cc2cc(C3=NCC(CCO)S3)[nH]c12.
What is the InChIKey of 2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?
The InChIKey is KAJYZJGUCPHQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4S2/c1-28-7-8-29-21-19(23)17(30-14-3-4-18(31-2)24-11-14)10-13-9-16(26-20(13)21)22-25-12-15(32-22)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-methylsulfanyl-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-methylsulfanyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol has a molecular weight of 477.58 g/mol, XLogP of 4.49, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 143876588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).