[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate

C22H22N2O5S — CID 23799741

IUPAC[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)COc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C22H22N2O5S/c1-14-4-5-15(2)19(10-14)28-12-21(26)29-11-20(25)24-22-23-18(13-30-22)16-6-8-17(27-3)9-7-16/h4-10,13H,11-12H2,1-3H3,(H,23,24,25)
InChIKeyGNQTYZKVFBPXHI-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.00
Rot. Bonds8

About [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate (PubChem CID 23799741) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
PubChem CID23799741
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)COc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C22H22N2O5S/c1-14-4-5-15(2)19(10-14)28-12-21(26)29-11-20(25)24-22-23-18(13-30-22)16-6-8-17(27-3)9-7-16/h4-10,13H,11-12H2,1-3H3,(H,23,24,25)
InChIKeyGNQTYZKVFBPXHI-UHFFFAOYSA-N
XLogP4.00
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate with MolForge

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 19178813
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 1183685
2-(2,5-dimethylphenoxy)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 9100839
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide
CID 118716727
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35964926
2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3310660
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] butanoate
CID 2629045
4-(2,5-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184106
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
2-(2,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660521
2-(2-bromo-4-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196735

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate (CID 23799741) is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The canonical SMILES for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate is COc1ccc(-c2csc(NC(=O)COC(=O)COc3cc(C)ccc3C)n2)cc1.
What is the InChIKey of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
The InChIKey is GNQTYZKVFBPXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-14-4-5-15(2)19(10-14)28-12-21(26)29-11-20(25)24-22-23-18(13-30-22)16-6-8-17(27-3)9-7-16/h4-10,13H,11-12H2,1-3H3,(H,23,24,25).
What are the key properties of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate?
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate has a molecular weight of 426.49 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate is sourced from PubChem (CID 23799741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).