2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol

C26H30N2O4S — CID 58237118

IUPAC2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(Oc2cc(OCC3CCOCC3)c3[nH]c(C4=NCC(CCO)S4)cc3c2)cc1
InChIInChI=1S/C26H30N2O4S/c1-17-2-4-20(5-3-17)32-21-12-19-13-23(26-27-15-22(33-26)6-9-29)28-25(19)24(14-21)31-16-18-7-10-30-11-8-18/h2-5,12-14,18,22,28-29H,6-11,15-16H2,1H3
InChIKeyWTUPJHWDMSNOKB-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.32
Rot. Bonds8

About 2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol

2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol (PubChem CID 58237118) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
PubChem CID58237118
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(Oc2cc(OCC3CCOCC3)c3[nH]c(C4=NCC(CCO)S4)cc3c2)cc1
InChIInChI=1S/C26H30N2O4S/c1-17-2-4-20(5-3-17)32-21-12-19-13-23(26-27-15-22(33-26)6-9-29)28-25(19)24(14-21)31-16-18-7-10-30-11-8-18/h2-5,12-14,18,22,28-29H,6-11,15-16H2,1H3
InChIKeyWTUPJHWDMSNOKB-UHFFFAOYSA-N
XLogP5.32
TPSA76.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol (CID 58237118) is 2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol is Cc1ccc(Oc2cc(OCC3CCOCC3)c3[nH]c(C4=NCC(CCO)S4)cc3c2)cc1.
What is the InChIKey of 2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?
The InChIKey is WTUPJHWDMSNOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-17-2-4-20(5-3-17)32-21-12-19-13-23(26-27-15-22(33-26)6-9-29)28-25(19)24(14-21)31-16-18-7-10-30-11-8-18/h2-5,12-14,18,22,28-29H,6-11,15-16H2,1H3.
What are the key properties of 2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol?
2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol has a molecular weight of 466.60 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(4-methylphenoxy)-7-(oxan-4-ylmethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 58237118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).