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

C12H12N2O2S — CID 115423299

IUPACmethyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Nc2ccccc2C)n1
InChIInChI=1S/C12H12N2O2S/c1-8-5-3-4-6-9(8)13-12-14-10(7-17-12)11(15)16-2/h3-7H,1-2H3,(H,13,14)
InChIKeyBTYIJESAHIPBJF-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.98
Rot. Bonds3

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

methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate (PubChem CID 115423299) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate
PubChem CID115423299
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Namemethyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Nc2ccccc2C)n1
InChIInChI=1S/C12H12N2O2S/c1-8-5-3-4-6-9(8)13-12-14-10(7-17-12)11(15)16-2/h3-7H,1-2H3,(H,13,14)
InChIKeyBTYIJESAHIPBJF-UHFFFAOYSA-N
XLogP2.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-bromo-3-methylanilino)-1,3-thiazole-4-carboxylate
CID 113307343
methyl 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423247
methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate
CID 106760978
methyl 2-(4-chloro-2-methylanilino)-1,3-thiazole-4-carboxylate
CID 114256663
2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3546065
methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate
CID 115423315
methyl 2-(2-chloro-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 113306688
methyl 2-(2,6-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 113306686
methyl 2-(4-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 113307015
methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
CID 60823388
methyl 2-(2-bromo-5-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 113307186
methyl 2-(3-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423227

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate (CID 115423299) is methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(Nc2ccccc2C)n1.
What is the InChIKey of methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is BTYIJESAHIPBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-5-3-4-6-9(8)13-12-14-10(7-17-12)11(15)16-2/h3-7H,1-2H3,(H,13,14).
What are the key properties of methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate?
methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 248.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).