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

C22H20N4O4S — CID 23828156

IUPAC[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)Cn3c(C)nc4ccccc43)n2)cc1
InChIInChI=1S/C22H20N4O4S/c1-14-23-17-5-3-4-6-19(17)26(14)11-21(28)30-12-20(27)25-22-24-18(13-31-22)15-7-9-16(29-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,24,25,27)
InChIKeyKAUPZIYTIZFSLI-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.66
Rot. Bonds7

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

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate (PubChem CID 23828156) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
PubChem CID23828156
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)Cn3c(C)nc4ccccc43)n2)cc1
InChIInChI=1S/C22H20N4O4S/c1-14-23-17-5-3-4-6-19(17)26(14)11-21(28)30-12-20(27)25-22-24-18(13-31-22)15-7-9-16(29-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,24,25,27)
InChIKeyKAUPZIYTIZFSLI-UHFFFAOYSA-N
XLogP3.66
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (3S)-3-phenylbutanoate
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CID 23994526
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3971135
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2387834
[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
CID 2422588
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 24514134
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 23799741
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
CID 23967917
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783695
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 6484292
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 23796788

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate?
The IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate (CID 23828156) is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate.
What is the SMILES notation for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate?
The canonical SMILES for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate is COc1ccc(-c2csc(NC(=O)COC(=O)Cn3c(C)nc4ccccc43)n2)cc1.
What is the InChIKey of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate?
The InChIKey is KAUPZIYTIZFSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-14-23-17-5-3-4-6-19(17)26(14)11-21(28)30-12-20(27)25-22-24-18(13-31-22)15-7-9-16(29-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,24,25,27).
What are the key properties of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate?
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate has a molecular weight of 436.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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-methylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 23828156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).