5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole

C26H24N4O5S — CID 134129896

IUPAC5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole
SMILESCOc1cc(OC)c2sc(-c3ccc(-n4cc(-c5cc(OC)c(OC)c(OC)c5)nn4)cc3)nc2c1
InChIInChI=1S/C26H24N4O5S/c1-31-18-12-19-25(23(13-18)34-4)36-26(27-19)15-6-8-17(9-7-15)30-14-20(28-29-30)16-10-21(32-2)24(35-5)22(11-16)33-3/h6-14H,1-5H3
InChIKeyYFPVSHRYVAJKOK-UHFFFAOYSA-N
MW504.57 g/mol
LogP5.25
Rot. Bonds8

About 5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole

5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole (PubChem CID 134129896) has the molecular formula C26H24N4O5S and a molecular weight of 504.57 g/mol. Its IUPAC name is 5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole
PubChem CID134129896
Molecular FormulaC26H24N4O5S
Molecular Weight504.57 g/mol
Exact Mass504.15
IUPAC Name5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole
SMILESCOc1cc(OC)c2sc(-c3ccc(-n4cc(-c5cc(OC)c(OC)c(OC)c5)nn4)cc3)nc2c1
InChIInChI=1S/C26H24N4O5S/c1-31-18-12-19-25(23(13-18)34-4)36-26(27-19)15-6-8-17(9-7-15)30-14-20(28-29-30)16-10-21(32-2)24(35-5)22(11-16)33-3/h6-14H,1-5H3
InChIKeyYFPVSHRYVAJKOK-UHFFFAOYSA-N
XLogP5.25
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.57
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-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 5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole?
The IUPAC name of 5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole (CID 134129896) is 5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole?
The canonical SMILES for 5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole is COc1cc(OC)c2sc(-c3ccc(-n4cc(-c5cc(OC)c(OC)c(OC)c5)nn4)cc3)nc2c1.
What is the InChIKey of 5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole?
The InChIKey is YFPVSHRYVAJKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5S/c1-31-18-12-19-25(23(13-18)34-4)36-26(27-19)15-6-8-17(9-7-15)30-14-20(28-29-30)16-10-21(32-2)24(35-5)22(11-16)33-3/h6-14H,1-5H3.
What are the key properties of 5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole?
5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole has a molecular weight of 504.57 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-[4-[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 134129896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).