methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate

C13H15N3O2S — CID 106760978

IUPACmethyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Nc2ccccc2N(C)C)n1
InChIInChI=1S/C13H15N3O2S/c1-16(2)11-7-5-4-6-9(11)14-13-15-10(8-19-13)12(17)18-3/h4-8H,1-3H3,(H,14,15)
InChIKeyATJFJPYJYMGXJP-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.74
Rot. Bonds4

About methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate

methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate (PubChem CID 106760978) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate
PubChem CID106760978
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Namemethyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(Nc2ccccc2N(C)C)n1
InChIInChI=1S/C13H15N3O2S/c1-16(2)11-7-5-4-6-9(11)14-13-15-10(8-19-13)12(17)18-3/h4-8H,1-3H3,(H,14,15)
InChIKeyATJFJPYJYMGXJP-UHFFFAOYSA-N
XLogP2.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate
CID 115423299
methyl 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423247
methyl 2-[4-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate
CID 115423636
methyl 2-(2-bromo-3-methylanilino)-1,3-thiazole-4-carboxylate
CID 113307343
ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate
CID 106760974
methyl 2-(2,6-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 113306686
methyl 2-(4-chloro-2-methylanilino)-1,3-thiazole-4-carboxylate
CID 114256663
methyl 2-(4-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 113307015
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-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-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate (CID 106760978) is methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(Nc2ccccc2N(C)C)n1.
What is the InChIKey of methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate?
The InChIKey is ATJFJPYJYMGXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-16(2)11-7-5-4-6-9(11)14-13-15-10(8-19-13)12(17)18-3/h4-8H,1-3H3,(H,14,15).
What are the key properties of methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate?
methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106760978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).