methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate

C13H14N2O4S — CID 53271259

IUPACmethyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1cccc(OC)c1OC
InChIInChI=1S/C13H14N2O4S/c1-17-8-6-4-5-7(10(8)18-2)11-9(12(16)19-3)15-13(14)20-11/h4-6H,1-3H3,(H2,14,15)
InChIKeyLVDZVLIJLKXOLE-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.20
Rot. Bonds4

About methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate

methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 53271259) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID53271259
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Namemethyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1cccc(OC)c1OC
InChIInChI=1S/C13H14N2O4S/c1-17-8-6-4-5-7(10(8)18-2)11-9(12(16)19-3)15-13(14)20-11/h4-6H,1-3H3,(H2,14,15)
InChIKeyLVDZVLIJLKXOLE-UHFFFAOYSA-N
XLogP2.20
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271136
methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 53271200
2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510015
methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 114076131
5-(2,3-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510751
methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271123
ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 53271349
ethyl 5-(2,3-dimethoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
CID 53271325
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
methyl 2-amino-5-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylate
CID 131722526
methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271142
ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
CID 15681324

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate (CID 53271259) is methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1-c1cccc(OC)c1OC.
What is the InChIKey of methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is LVDZVLIJLKXOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-17-8-6-4-5-7(10(8)18-2)11-9(12(16)19-3)15-13(14)20-11/h4-6H,1-3H3,(H2,14,15).
What are the key properties of methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).