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

C13H14N2O3S — CID 13073197

IUPACmethyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(-c2ccc(OC)c(C)c2)c1N
InChIInChI=1S/C13H14N2O3S/c1-7-6-8(4-5-9(7)17-2)11-10(14)12(19-15-11)13(16)18-3/h4-6H,14H2,1-3H3
InChIKeyZXVJFCHESBZGBT-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.50
Rot. Bonds3

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

methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate (PubChem CID 13073197) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate
PubChem CID13073197
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namemethyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(-c2ccc(OC)c(C)c2)c1N
InChIInChI=1S/C13H14N2O3S/c1-7-6-8(4-5-9(7)17-2)11-10(14)12(19-15-11)13(16)18-3/h4-6H,14H2,1-3H3
InChIKeyZXVJFCHESBZGBT-UHFFFAOYSA-N
XLogP2.50
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 13073191
N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 82342336
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 116647675
N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 82342338
4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid
CID 13073206
ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate
CID 134095187
4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-amine
CID 62132077
methyl 3-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-2-carboxylate
CID 83971383
methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate
CID 171096034
4-amino-3-(4-methoxyphenyl)-N-propyl-1,2-thiazole-5-carboxamide
CID 52906119
methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate
CID 135397515

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate (CID 13073197) is methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate is COC(=O)c1snc(-c2ccc(OC)c(C)c2)c1N.
What is the InChIKey of methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate?
The InChIKey is ZXVJFCHESBZGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7-6-8(4-5-9(7)17-2)11-10(14)12(19-15-11)13(16)18-3/h4-6H,14H2,1-3H3.
What are the key properties of methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate?
methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 13073197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).