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

C24H27N3O4S — CID 58081003

IUPAC2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C4=NCC(CCO)S4)cc3c2)nc1
InChIInChI=1S/C24H27N3O4S/c1-15-2-3-22(25-13-15)31-18-10-16-11-20(24-26-14-19(32-24)4-7-28)27-23(16)21(12-18)30-17-5-8-29-9-6-17/h2-3,10-13,17,19,27-28H,4-9,14H2,1H3
InChIKeyRAMXBBKHWHZMEJ-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.47
Rot. Bonds7

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

2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol (PubChem CID 58081003) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
PubChem CID58081003
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C4=NCC(CCO)S4)cc3c2)nc1
InChIInChI=1S/C24H27N3O4S/c1-15-2-3-22(25-13-15)31-18-10-16-11-20(24-26-14-19(32-24)4-7-28)27-23(16)21(12-18)30-17-5-8-29-9-6-17/h2-3,10-13,17,19,27-28H,4-9,14H2,1H3
InChIKeyRAMXBBKHWHZMEJ-UHFFFAOYSA-N
XLogP4.47
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol (CID 58081003) is 2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol is Cc1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C4=NCC(CCO)S4)cc3c2)nc1.
What is the InChIKey of 2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?
The InChIKey is RAMXBBKHWHZMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-15-2-3-22(25-13-15)31-18-10-16-11-20(24-26-14-19(32-24)4-7-28)27-23(16)21(12-18)30-17-5-8-29-9-6-17/h2-3,10-13,17,19,27-28H,4-9,14H2,1H3.
What are the key properties of 2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?
2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol has a molecular weight of 453.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(5-methyl-2-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 58081003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).