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

C22H25N3O5S — CID 118737482

IUPAC2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(-c2nc(NC(=O)CN)sc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H25N3O5S/c1-5-30-15-8-6-13(7-9-15)19-21(31-22(25-19)24-18(26)12-23)14-10-16(27-2)20(29-4)17(11-14)28-3/h6-11H,5,12,23H2,1-4H3,(H,24,25,26)
InChIKeyRPYLXURUVSGFHG-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.80
Rot. Bonds9

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

2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 118737482) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID118737482
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(-c2nc(NC(=O)CN)sc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H25N3O5S/c1-5-30-15-8-6-13(7-9-15)19-21(31-22(25-19)24-18(26)12-23)14-10-16(27-2)20(29-4)17(11-14)28-3/h6-11H,5,12,23H2,1-4H3,(H,24,25,26)
InChIKeyRPYLXURUVSGFHG-UHFFFAOYSA-N
XLogP3.80
TPSA104.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.80
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]-2-methylpropanamide
CID 118737484
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210220
N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762
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
N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 126203858
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
2-(benzenesulfonyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 7254450

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]acetamide?
The IUPAC name of 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 118737482) is 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCOc1ccc(-c2nc(NC(=O)CN)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]acetamide?
The InChIKey is RPYLXURUVSGFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-5-30-15-8-6-13(7-9-15)19-21(31-22(25-19)24-18(26)12-23)14-10-16(27-2)20(29-4)17(11-14)28-3/h6-11H,5,12,23H2,1-4H3,(H,24,25,26).
What are the key properties of 2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-amino-N-[4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 3.80, 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]acetamide is sourced from PubChem (CID 118737482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).