[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate

C20H20N2O4S — CID 7486994

IUPAC[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCc2csc(Nc3ccc(C)cc3)n2)c1
InChIInChI=1S/C20H20N2O4S/c1-13-4-6-14(7-5-13)21-20-22-15(12-27-20)11-26-19(23)17-10-16(24-2)8-9-18(17)25-3/h4-10,12H,11H2,1-3H3,(H,21,22)
InChIKeyCSTUROAHFQUAEC-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.57
Rot. Bonds7

About [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate (PubChem CID 7486994) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate
PubChem CID7486994
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCc2csc(Nc3ccc(C)cc3)n2)c1
InChIInChI=1S/C20H20N2O4S/c1-13-4-6-14(7-5-13)21-20-22-15(12-27-20)11-26-19(23)17-10-16(24-2)8-9-18(17)25-3/h4-10,12H,11H2,1-3H3,(H,21,22)
InChIKeyCSTUROAHFQUAEC-UHFFFAOYSA-N
XLogP4.57
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-methoxy-5-sulfamoylbenzoate
CID 16518384
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,6-dimethoxybenzoate
CID 7666567
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7378421
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-formylbenzoate
CID 7966447
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-(2-methylpropoxy)benzoate
CID 7175653
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate
CID 8874317
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27377933
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-(hydroxymethyl)benzoate
CID 7990685
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-bromobenzoate
CID 7662860
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-hydroxyethylamino)benzoate
CID 16509106
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 24669787
2-O-[(2-anilino-1,3-thiazol-4-yl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505350

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate?
The IUPAC name of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate (CID 7486994) is [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate.
What is the SMILES notation for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate?
The canonical SMILES for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OCc2csc(Nc3ccc(C)cc3)n2)c1.
What is the InChIKey of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate?
The InChIKey is CSTUROAHFQUAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-13-4-6-14(7-5-13)21-20-22-15(12-27-20)11-26-19(23)17-10-16(24-2)8-9-18(17)25-3/h4-10,12H,11H2,1-3H3,(H,21,22).
What are the key properties of [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate?
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate has a molecular weight of 384.46 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate is sourced from PubChem (CID 7486994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).