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

C22H24N2O5S — CID 92551611

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
SMILESCOc1ccc(OC(C)(C)C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1
InChIInChI=1S/C22H24N2O5S/c1-22(2,29-15-8-6-14(26-3)7-9-15)20(25)24-21-23-18(13-30-21)17-11-10-16(27-4)12-19(17)28-5/h6-13H,1-5H3,(H,23,24,25)
InChIKeyNYSZTFSFWIAYEK-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.63
Rot. Bonds8

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

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide (PubChem CID 92551611) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
PubChem CID92551611
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
SMILESCOc1ccc(OC(C)(C)C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1
InChIInChI=1S/C22H24N2O5S/c1-22(2,29-15-8-6-14(26-3)7-9-15)20(25)24-21-23-18(13-30-21)17-11-10-16(27-4)12-19(17)28-5/h6-13H,1-5H3,(H,23,24,25)
InChIKeyNYSZTFSFWIAYEK-UHFFFAOYSA-N
XLogP4.63
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide (CID 92551611) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide is COc1ccc(OC(C)(C)C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide?
The InChIKey is NYSZTFSFWIAYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-22(2,29-15-8-6-14(26-3)7-9-15)20(25)24-21-23-18(13-30-21)17-11-10-16(27-4)12-19(17)28-5/h6-13H,1-5H3,(H,23,24,25).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide has a molecular weight of 428.51 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide is sourced from PubChem (CID 92551611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).