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

C12H11FN2O2S — CID 114076131

IUPACmethyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1cc(F)ccc1C
InChIInChI=1S/C12H11FN2O2S/c1-6-3-4-7(13)5-8(6)10-9(11(16)17-2)15-12(14)18-10/h3-5H,1-2H3,(H2,14,15)
InChIKeyBECBTEJQIIZPFI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.63
Rot. Bonds2

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

methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 114076131) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID114076131
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Namemethyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1cc(F)ccc1C
InChIInChI=1S/C12H11FN2O2S/c1-6-3-4-7(13)5-8(6)10-9(11(16)17-2)15-12(14)18-10/h3-5H,1-2H3,(H2,14,15)
InChIKeyBECBTEJQIIZPFI-UHFFFAOYSA-N
XLogP2.63
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271136
methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 53271259
ethyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 133062647
methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 106510147
methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 53271200
methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271123
ethyl 2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526244
methyl 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 66844651
methyl 5-amino-1-(4-fluoro-2-methylphenyl)-2-methylimidazole-4-carboxylate
CID 103544266
methyl 5-(5-fluoro-2-methylphenyl)furan-2-carboxylate
CID 11310857
methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 67018202
methyl 5-amino-2-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199671

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate (CID 114076131) is methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1-c1cc(F)ccc1C.
What is the InChIKey of methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is BECBTEJQIIZPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-6-3-4-7(13)5-8(6)10-9(11(16)17-2)15-12(14)18-10/h3-5H,1-2H3,(H2,14,15).
What are the key properties of methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 2.63, 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-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 114076131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).