methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate

C12H8F4N2O2S — CID 106510147

IUPACmethyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H8F4N2O2S/c1-20-10(19)8-9(21-11(17)18-8)5-2-6(12(14,15)16)4-7(13)3-5/h2-4H,1H3,(H2,17,18)
InChIKeySRSVGIORTZIHDC-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.34
Rot. Bonds2

About methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate

methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate (PubChem CID 106510147) has the molecular formula C12H8F4N2O2S and a molecular weight of 320.27 g/mol. Its IUPAC name is methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
PubChem CID106510147
Molecular FormulaC12H8F4N2O2S
Molecular Weight320.27 g/mol
Exact Mass320.02
IUPAC Namemethyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H8F4N2O2S/c1-20-10(19)8-9(21-11(17)18-8)5-2-6(12(14,15)16)4-7(13)3-5/h2-4H,1H3,(H2,17,18)
InChIKeySRSVGIORTZIHDC-UHFFFAOYSA-N
XLogP3.34
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate;methyl 2-[(2,6-difluorobenzoyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 159602800
methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 67018202
methyl 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 115350310
methyl 2-bromo-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 66844262
methyl 2-amino-5-(5-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 114076131
methyl 2-amino-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271123
methyl 5-amino-2-(3-fluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199640
ethyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 133062647
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 138638587
methyl 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 66844651
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-N,5-N-bis(2-methoxyethyl)-1,3-thiazole-2,5-diamine
CID 130254296
methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271136

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate (CID 106510147) is methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1-c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate?
The InChIKey is SRSVGIORTZIHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O2S/c1-20-10(19)8-9(21-11(17)18-8)5-2-6(12(14,15)16)4-7(13)3-5/h2-4H,1H3,(H2,17,18).
What are the key properties of methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate has a molecular weight of 320.27 g/mol, XLogP of 3.34, 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-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106510147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).