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

C22H24FN3O5S2 — CID 58237021

IUPAC2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
SMILESCCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(CCO)S3)[nH]c12
InChIInChI=1S/C22H24FN3O5S2/c1-3-8-30-21-19(23)17(31-14-4-5-18(24-11-14)33(2,28)29)10-13-9-16(26-20(13)21)22-25-12-15(32-22)6-7-27/h4-5,9-11,15,26-27H,3,6-8,12H2,1-2H3
InChIKeyOFLAISQQSOUHOF-UHFFFAOYSA-N
MW493.58 g/mol
LogP3.93
Rot. Bonds9

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]ethanol

2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol (PubChem CID 58237021) has the molecular formula C22H24FN3O5S2 and a molecular weight of 493.58 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]ethanol.

Molecular Properties

Compound Name2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
PubChem CID58237021
Molecular FormulaC22H24FN3O5S2
Molecular Weight493.58 g/mol
Exact Mass493.11
IUPAC Name2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
SMILESCCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(CCO)S3)[nH]c12
InChIInChI=1S/C22H24FN3O5S2/c1-3-8-30-21-19(23)17(31-14-4-5-18(24-11-14)33(2,28)29)10-13-9-16(26-20(13)21)22-25-12-15(32-22)6-7-27/h4-5,9-11,15,26-27H,3,6-8,12H2,1-2H3
InChIKeyOFLAISQQSOUHOF-UHFFFAOYSA-N
XLogP3.93
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]ethanol?
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]ethanol (CID 58237021) 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]ethanol.
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]ethanol?
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]ethanol is CCCOc1c(F)c(Oc2ccc(S(C)(=O)=O)nc2)cc2cc(C3=NCC(CCO)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]ethanol?
The InChIKey is OFLAISQQSOUHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O5S2/c1-3-8-30-21-19(23)17(31-14-4-5-18(24-11-14)33(2,28)29)10-13-9-16(26-20(13)21)22-25-12-15(32-22)6-7-27/h4-5,9-11,15,26-27H,3,6-8,12H2,1-2H3.
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]ethanol?
2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol has a molecular weight of 493.58 g/mol, XLogP of 3.93, 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]ethanol is sourced from PubChem (CID 58237021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).