methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate

C13H13ClN2O2S — CID 115424812

IUPACmethyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(Nc2c(C)cccc2Cl)sc1C
InChIInChI=1S/C13H13ClN2O2S/c1-7-5-4-6-9(14)10(7)15-13-16-11(8(2)19-13)12(17)18-3/h4-6H,1-3H3,(H,15,16)
InChIKeyCVRHMYCMFYLQNK-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.94
Rot. Bonds3

About methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115424812) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115424812
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Namemethyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(Nc2c(C)cccc2Cl)sc1C
InChIInChI=1S/C13H13ClN2O2S/c1-7-5-4-6-9(14)10(7)15-13-16-11(8(2)19-13)12(17)18-3/h4-6H,1-3H3,(H,15,16)
InChIKeyCVRHMYCMFYLQNK-UHFFFAOYSA-N
XLogP3.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424811
methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306591
methyl 2-(5-bromo-2-chloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424318
methyl 2-(2,6-dibromo-4-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422975
methyl 2-(2-bromoanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423233
methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423276
ethyl 2-(2,6-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526443
methyl 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306543
methyl 3-(2,6-dichloroanilino)-4-methylthiophene-2-carboxylate
CID 57017185
2-(3-chloro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306588
methyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
CID 115423111
2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80569393

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate (CID 115424812) is methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(Nc2c(C)cccc2Cl)sc1C.
What is the InChIKey of methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is CVRHMYCMFYLQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-7-5-4-6-9(14)10(7)15-13-16-11(8(2)19-13)12(17)18-3/h4-6H,1-3H3,(H,15,16).
What are the key properties of methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 296.78 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115424812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).