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

C13H12N2O4S — CID 42281606

IUPACmethyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H12N2O4S/c1-18-8-5-3-7(4-6-8)10(16)11-9(12(17)19-2)15-13(14)20-11/h3-6H,1-2H3,(H2,14,15)
InChIKeyGQTPHKQAWSVZKD-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.75
Rot. Bonds4

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

methyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate (PubChem CID 42281606) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is methyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate
PubChem CID42281606
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Namemethyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H12N2O4S/c1-18-8-5-3-7(4-6-8)10(16)11-9(12(17)19-2)15-13(14)20-11/h3-6H,1-2H3,(H2,14,15)
InChIKeyGQTPHKQAWSVZKD-UHFFFAOYSA-N
XLogP1.75
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate (CID 42281606) is methyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1C(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate?
The InChIKey is GQTPHKQAWSVZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-18-8-5-3-7(4-6-8)10(16)11-9(12(17)19-2)15-13(14)20-11/h3-6H,1-2H3,(H2,14,15).
What are the key properties of methyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate has a molecular weight of 292.32 g/mol, XLogP of 1.75, 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-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 42281606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).