5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole

C21H23NO6S — CID 91165486

IUPAC5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3OC)ns2)cc1OC
InChIInChI=1S/C21H23NO6S/c1-23-15-8-7-12(9-16(15)24-2)18-11-14(22-29-18)13-10-17(25-3)20(27-5)21(28-6)19(13)26-4/h7-11H,1-6H3
InChIKeyIYQUWBPNSVUWEB-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.53
Rot. Bonds8

About 5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole

5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole (PubChem CID 91165486) has the molecular formula C21H23NO6S and a molecular weight of 417.48 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole
PubChem CID91165486
Molecular FormulaC21H23NO6S
Molecular Weight417.48 g/mol
Exact Mass417.12
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3OC)ns2)cc1OC
InChIInChI=1S/C21H23NO6S/c1-23-15-8-7-12(9-16(15)24-2)18-11-14(22-29-18)13-10-17(25-3)20(27-5)21(28-6)19(13)26-4/h7-11H,1-6H3
InChIKeyIYQUWBPNSVUWEB-UHFFFAOYSA-N
XLogP4.53
TPSA68.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole (CID 91165486) is 5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole is COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3OC)ns2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole?
The InChIKey is IYQUWBPNSVUWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6S/c1-23-15-8-7-12(9-16(15)24-2)18-11-14(22-29-18)13-10-17(25-3)20(27-5)21(28-6)19(13)26-4/h7-11H,1-6H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole?
5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole has a molecular weight of 417.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole is sourced from PubChem (CID 91165486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).