[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate

C21H21N3O4S — CID 9220938

IUPAC[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate
SMILESCOc1ccc(Nc2nc(COC(=O)CNC(=O)c3cccc(C)c3)cs2)cc1
InChIInChI=1S/C21H21N3O4S/c1-14-4-3-5-15(10-14)20(26)22-11-19(25)28-12-17-13-29-21(24-17)23-16-6-8-18(27-2)9-7-16/h3-10,13H,11-12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyNEEXOIUKGZCZSV-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.68
Rot. Bonds8

About [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate

[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 9220938) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate
PubChem CID9220938
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate
SMILESCOc1ccc(Nc2nc(COC(=O)CNC(=O)c3cccc(C)c3)cs2)cc1
InChIInChI=1S/C21H21N3O4S/c1-14-4-3-5-15(10-14)20(26)22-11-19(25)28-12-17-13-29-21(24-17)23-16-6-8-18(27-2)9-7-16/h3-10,13H,11-12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyNEEXOIUKGZCZSV-UHFFFAOYSA-N
XLogP3.68
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate
CID 8874317
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788443
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885532
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882402
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate
CID 7486994
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,6-dimethoxybenzoate
CID 7666567
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 46601597
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-bromobenzoate
CID 7662860
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 8743810
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-phenoxypropanoate
CID 7841415
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 24669787

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate (CID 9220938) is [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate is COc1ccc(Nc2nc(COC(=O)CNC(=O)c3cccc(C)c3)cs2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is NEEXOIUKGZCZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-14-4-3-5-15(10-14)20(26)22-11-19(25)28-12-17-13-29-21(24-17)23-16-6-8-18(27-2)9-7-16/h3-10,13H,11-12H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate?
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 411.48 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 9220938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).