2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C21H22N2O5S — CID 2548229

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC
InChIInChI=1S/C21H22N2O5S/c1-25-16-7-5-13(9-18(16)27-3)10-20(24)23-21-22-15(12-29-21)14-6-8-17(26-2)19(11-14)28-4/h5-9,11-12H,10H2,1-4H3,(H,22,23,24)
InChIKeyYPEWDPLJTBPKGZ-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.03
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2548229) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID2548229
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC
InChIInChI=1S/C21H22N2O5S/c1-25-16-7-5-13(9-18(16)27-3)10-20(24)23-21-22-15(12-29-21)14-6-8-17(26-2)19(11-14)28-4/h5-9,11-12H,10H2,1-4H3,(H,22,23,24)
InChIKeyYPEWDPLJTBPKGZ-UHFFFAOYSA-N
XLogP4.03
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 2548229) is 2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(CC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YPEWDPLJTBPKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-25-16-7-5-13(9-18(16)27-3)10-20(24)23-21-22-15(12-29-21)14-6-8-17(26-2)19(11-14)28-4/h5-9,11-12H,10H2,1-4H3,(H,22,23,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 414.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2548229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).