2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate

C20H19N2O4S- — CID 7460125

IUPAC2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate
SMILESCOc1ccc(OC)c(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)[O-])c1
InChIInChI=1S/C20H20N2O4S/c1-12-4-6-13(7-5-12)21-20-22-19(17(27-20)11-18(23)24)15-10-14(25-2)8-9-16(15)26-3/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)/p-1
InChIKeyOFMNEBRMYJOBDB-UHFFFAOYSA-M
MW383.45 g/mol
LogP3.17
Rot. Bonds7

About 2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate

2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate (PubChem CID 7460125) has the molecular formula C20H19N2O4S- and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Name2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate
PubChem CID7460125
Molecular FormulaC20H19N2O4S-
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate
SMILESCOc1ccc(OC)c(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)[O-])c1
InChIInChI=1S/C20H20N2O4S/c1-12-4-6-13(7-5-12)21-20-22-19(17(27-20)11-18(23)24)15-10-14(25-2)8-9-16(15)26-3/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)/p-1
InChIKeyOFMNEBRMYJOBDB-UHFFFAOYSA-M
XLogP3.17
TPSA83.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2,5-dimethoxyphenyl)-2-(2-fluoroanilino)-1,3-thiazol-5-yl]acetate
CID 7460137
2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
CID 3145343
2-[2-(4-bromoanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate
CID 2175811
2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
2-[4-(3,4-dimethoxyphenyl)-2-(2-ethoxyanilino)-1,3-thiazol-5-yl]acetate
CID 7327070
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate
CID 7486994
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
2-[2-(4-bromoanilino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1339805
2-[2-(3,5-dichloroanilino)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 56695440
2-[2-(3-chloroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1342093
2-[2-(4-methylanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 2295082

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate?
The IUPAC name of 2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate (CID 7460125) is 2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for 2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for 2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate is COc1ccc(OC)c(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)[O-])c1.
What is the InChIKey of 2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate?
The InChIKey is OFMNEBRMYJOBDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20N2O4S/c1-12-4-6-13(7-5-12)21-20-22-19(17(27-20)11-18(23)24)15-10-14(25-2)8-9-16(15)26-3/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)/p-1.
What are the key properties of 2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate?
2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate has a molecular weight of 383.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 7460125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).