2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol

C23H20N2O2S2 — CID 22603681

IUPAC2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1cc2cc(Oc3cccc4cc(-c5ncc(C(C)(C)O)s5)sc34)ccc2[nH]1
InChIInChI=1S/C23H20N2O2S2/c1-13-9-15-10-16(7-8-17(15)25-13)27-18-6-4-5-14-11-19(28-21(14)18)22-24-12-20(29-22)23(2,3)26/h4-12,25-26H,1-3H3
InChIKeyYXNVSBNJLVISPX-UHFFFAOYSA-N
MW420.56 g/mol
LogP6.83
Rot. Bonds4

About 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol

2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 22603681) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID22603681
Molecular FormulaC23H20N2O2S2
Molecular Weight420.56 g/mol
Exact Mass420.10
IUPAC Name2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1cc2cc(Oc3cccc4cc(-c5ncc(C(C)(C)O)s5)sc34)ccc2[nH]1
InChIInChI=1S/C23H20N2O2S2/c1-13-9-15-10-16(7-8-17(15)25-13)27-18-6-4-5-14-11-19(28-21(14)18)22-24-12-20(29-22)23(2,3)26/h4-12,25-26H,1-3H3
InChIKeyYXNVSBNJLVISPX-UHFFFAOYSA-N
XLogP6.83
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol (CID 22603681) is 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol is Cc1cc2cc(Oc3cccc4cc(-c5ncc(C(C)(C)O)s5)sc34)ccc2[nH]1.
What is the InChIKey of 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is YXNVSBNJLVISPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-13-9-15-10-16(7-8-17(15)25-13)27-18-6-4-5-14-11-19(28-21(14)18)22-24-12-20(29-22)23(2,3)26/h4-12,25-26H,1-3H3.
What are the key properties of 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol?
2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 420.56 g/mol, XLogP of 6.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]-1-benzothiophen-2-yl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 22603681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).