2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

C24H29N3O5S — CID 118737484

IUPAC2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCCOc1ccc(-c2nc(NC(=O)C(C)(C)N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C24H29N3O5S/c1-7-32-16-10-8-14(9-11-16)19-21(33-23(26-19)27-22(28)24(2,3)25)15-12-17(29-4)20(31-6)18(13-15)30-5/h8-13H,7,25H2,1-6H3,(H,26,27,28)
InChIKeyCPYXYBXDSWDIHW-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.58
Rot. Bonds9

About 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 118737484) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID118737484
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCCOc1ccc(-c2nc(NC(=O)C(C)(C)N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C24H29N3O5S/c1-7-32-16-10-8-14(9-11-16)19-21(33-23(26-19)27-22(28)24(2,3)25)15-12-17(29-4)20(31-6)18(13-15)30-5/h8-13H,7,25H2,1-6H3,(H,26,27,28)
InChIKeyCPYXYBXDSWDIHW-UHFFFAOYSA-N
XLogP4.58
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 118737482
4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210220
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 999954
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
N-[4-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 137463419
2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 109009202
N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 126203858
(E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 108761118

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide (CID 118737484) is 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide is CCOc1ccc(-c2nc(NC(=O)C(C)(C)N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is CPYXYBXDSWDIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-7-32-16-10-8-14(9-11-16)19-21(33-23(26-19)27-22(28)24(2,3)25)15-12-17(29-4)20(31-6)18(13-15)30-5/h8-13H,7,25H2,1-6H3,(H,26,27,28).
What are the key properties of 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 471.58 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 118737484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).