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

C12H12N2O2S — CID 53271136

IUPACmethyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1ccccc1C
InChIInChI=1S/C12H12N2O2S/c1-7-5-3-4-6-8(7)10-9(11(15)16-2)14-12(13)17-10/h3-6H,1-2H3,(H2,13,14)
InChIKeyDNQQNZWZXZIZOH-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.49
Rot. Bonds2

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

methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 53271136) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID53271136
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Namemethyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1ccccc1C
InChIInChI=1S/C12H12N2O2S/c1-7-5-3-4-6-8(7)10-9(11(15)16-2)14-12(13)17-10/h3-6H,1-2H3,(H2,13,14)
InChIKeyDNQQNZWZXZIZOH-UHFFFAOYSA-N
XLogP2.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 114076131
methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 53271259
methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 53271200
methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271159
methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271123
methyl 3-hydroxy-6-(2-methylphenyl)pyridine-2-carboxylate
CID 102311394
methyl 5-amino-2-(2-chloro-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199605
methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271142
methyl 2-bromo-5-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 106510283
methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 174844080
methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422349
methyl 2-amino-5-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylate
CID 131722526

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate (CID 53271136) is methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1-c1ccccc1C.
What is the InChIKey of methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is DNQQNZWZXZIZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-5-3-4-6-8(7)10-9(11(15)16-2)14-12(13)17-10/h3-6H,1-2H3,(H2,13,14).
What are the key properties of methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 248.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).