5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole

C23H22N2O5S — CID 155559751

IUPAC5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCOc1cc2nc(-c3cccnc3-c3cc(OC)c(OC)c(OC)c3)sc2cc1OC
InChIInChI=1S/C23H22N2O5S/c1-26-16-11-15-20(12-17(16)27-2)31-23(25-15)14-7-6-8-24-21(14)13-9-18(28-3)22(30-5)19(10-13)29-4/h6-12H,1-5H3
InChIKeyUXUBWQUTCXKEIQ-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.07
Rot. Bonds7

About 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole

5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 155559751) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole
PubChem CID155559751
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCOc1cc2nc(-c3cccnc3-c3cc(OC)c(OC)c(OC)c3)sc2cc1OC
InChIInChI=1S/C23H22N2O5S/c1-26-16-11-15-20(12-17(16)27-2)31-23(25-15)14-7-6-8-24-21(14)13-9-18(28-3)22(30-5)19(10-13)29-4/h6-12H,1-5H3
InChIKeyUXUBWQUTCXKEIQ-UHFFFAOYSA-N
XLogP5.07
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole 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 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole (CID 155559751) is 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole is COc1cc2nc(-c3cccnc3-c3cc(OC)c(OC)c(OC)c3)sc2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is UXUBWQUTCXKEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-26-16-11-15-20(12-17(16)27-2)31-23(25-15)14-7-6-8-24-21(14)13-9-18(28-3)22(30-5)19(10-13)29-4/h6-12H,1-5H3.
What are the key properties of 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole?
5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 438.51 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 155559751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).