[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H21NO6S — CID 25258830

IUPAC[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)cs2)cc1OC
InChIInChI=1S/C21H21NO6S/c1-24-15-7-6-12(8-16(15)25-2)21-22-14(11-29-21)19(23)13-9-17(26-3)20(28-5)18(10-13)27-4/h6-11H,1-5H3
InChIKeyMHQBXKNSIPQDAQ-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.08
Rot. Bonds8

About [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 25258830) has the molecular formula C21H21NO6S and a molecular weight of 415.47 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID25258830
Molecular FormulaC21H21NO6S
Molecular Weight415.47 g/mol
Exact Mass415.11
IUPAC Name[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)cs2)cc1OC
InChIInChI=1S/C21H21NO6S/c1-24-15-7-6-12(8-16(15)25-2)21-22-14(11-29-21)19(23)13-9-17(26-3)20(28-5)18(10-13)27-4/h6-11H,1-5H3
InChIKeyMHQBXKNSIPQDAQ-UHFFFAOYSA-N
XLogP4.08
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 25258830) is [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)cs2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is MHQBXKNSIPQDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6S/c1-24-15-7-6-12(8-16(15)25-2)21-22-14(11-29-21)19(23)13-9-17(26-3)20(28-5)18(10-13)27-4/h6-11H,1-5H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 415.47 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 25258830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).