[2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol

C26H22N2O3S — CID 58237081

IUPAC[2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(Oc2cc(OCc3ccccc3)c3[nH]c(-c4ncc(CO)s4)cc3c2)cc1
InChIInChI=1S/C26H22N2O3S/c1-17-7-9-20(10-8-17)31-21-11-19-12-23(26-27-14-22(15-29)32-26)28-25(19)24(13-21)30-16-18-5-3-2-4-6-18/h2-14,28-29H,15-16H2,1H3
InChIKeyWDYJAKZRYVKGNU-UHFFFAOYSA-N
MW442.54 g/mol
LogP6.46
Rot. Bonds7

About [2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol

[2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 58237081) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is [2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol
PubChem CID58237081
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC Name[2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(Oc2cc(OCc3ccccc3)c3[nH]c(-c4ncc(CO)s4)cc3c2)cc1
InChIInChI=1S/C26H22N2O3S/c1-17-7-9-20(10-8-17)31-21-11-19-12-23(26-27-14-22(15-29)32-26)28-25(19)24(13-21)30-16-18-5-3-2-4-6-18/h2-14,28-29H,15-16H2,1H3
InChIKeyWDYJAKZRYVKGNU-UHFFFAOYSA-N
XLogP6.46
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol (CID 58237081) is [2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol is Cc1ccc(Oc2cc(OCc3ccccc3)c3[nH]c(-c4ncc(CO)s4)cc3c2)cc1.
What is the InChIKey of [2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is WDYJAKZRYVKGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c1-17-7-9-20(10-8-17)31-21-11-19-12-23(26-27-14-22(15-29)32-26)28-25(19)24(13-21)30-16-18-5-3-2-4-6-18/h2-14,28-29H,15-16H2,1H3.
What are the key properties of [2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol?
[2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 442.54 g/mol, XLogP of 6.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 58237081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).