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

C12H10F2N2O2S — CID 103199677

IUPACmethyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cc(C)c(F)cc2F)sc1N
InChIInChI=1S/C12H10F2N2O2S/c1-5-3-6(8(14)4-7(5)13)11-16-9(10(15)19-11)12(17)18-2/h3-4H,15H2,1-2H3
InChIKeyACWRESUYKXKPDZ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.77
Rot. Bonds2

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

methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 103199677) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID103199677
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Namemethyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cc(C)c(F)cc2F)sc1N
InChIInChI=1S/C12H10F2N2O2S/c1-5-3-6(8(14)4-7(5)13)11-16-9(10(15)19-11)12(17)18-2/h3-4H,15H2,1-2H3
InChIKeyACWRESUYKXKPDZ-UHFFFAOYSA-N
XLogP2.77
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-(3-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199671
methyl 5-amino-2-(3-fluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199640
methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199632
methyl 5-amino-2-(2-chloro-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199605
methyl 5-amino-2-(2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199725
methyl 5-amino-2-(2-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 103199613
methyl 5-amino-2-(4-chloro-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199703
methyl 5-amino-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199710
methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422946
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
CID 84728484
methyl 5-amino-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199582

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate (CID 103199677) is methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2cc(C)c(F)cc2F)sc1N.
What is the InChIKey of methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ACWRESUYKXKPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c1-5-3-6(8(14)4-7(5)13)11-16-9(10(15)19-11)12(17)18-2/h3-4H,15H2,1-2H3.
What are the key properties of methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate?
methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 284.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103199677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).