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

C12H12N2O3S — CID 2768483

IUPACmethyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1ccc(OC)cc1
InChIInChI=1S/C12H12N2O3S/c1-16-8-5-3-7(4-6-8)10-9(11(15)17-2)14-12(13)18-10/h3-6H,1-2H3,(H2,13,14)
InChIKeyLDXPOVCGXSESCK-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.19
Rot. Bonds3

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

methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 2768483) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID2768483
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Namemethyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1ccc(OC)cc1
InChIInChI=1S/C12H12N2O3S/c1-16-8-5-3-7(4-6-8)10-9(11(15)17-2)14-12(13)18-10/h3-6H,1-2H3,(H2,13,14)
InChIKeyLDXPOVCGXSESCK-UHFFFAOYSA-N
XLogP2.19
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
CID 664327
Methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 2763352
Ethyl 2-[3-(4-methoxyphenyl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4385342
Cdk1/2/4-IN-1
CID 164886606
Ethyl 2-amino-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 29922258
Methyl 2-amino-5-benzyl-1,3-thiazole-4-carboxylate
CID 49767430
2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 177377307
[2-Amino-4-(4-methoxy-phenyl)-thiazol-5-yl]-acetic acid
CID 6494196
2-Azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 168719747
2-Azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 168719750
Methyl 2-amino-5-(4-methoxybenzoyl)-1,3-thiazole-4-carboxylate
CID 42281606
2-Amino-7-(4-methoxyphenyl)[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
CID 42281617

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (CID 2768483) is methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1-c1ccc(OC)cc1.
What is the InChIKey of methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is LDXPOVCGXSESCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-16-8-5-3-7(4-6-8)10-9(11(15)17-2)14-12(13)18-10/h3-6H,1-2H3,(H2,13,14).
What are the key properties of methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 264.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2768483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).