ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate

C12H10F2N2O2S — CID 66652898

IUPACethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2c(F)cccc2F)sc1N
InChIInChI=1S/C12H10F2N2O2S/c1-2-18-12(17)9-10(15)19-11(16-9)8-6(13)4-3-5-7(8)14/h3-5H,2,15H2,1H3
InChIKeyUCFOHAPCJDEXES-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.85
Rot. Bonds3

About ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate

ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 66652898) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID66652898
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Nameethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2c(F)cccc2F)sc1N
InChIInChI=1S/C12H10F2N2O2S/c1-2-18-12(17)9-10(15)19-11(16-9)8-6(13)4-3-5-7(8)14/h3-5H,2,15H2,1H3
InChIKeyUCFOHAPCJDEXES-UHFFFAOYSA-N
XLogP2.85
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate (CID 66652898) is ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2c(F)cccc2F)sc1N.
What is the InChIKey of ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is UCFOHAPCJDEXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c1-2-18-12(17)9-10(15)19-11(16-9)8-6(13)4-3-5-7(8)14/h3-5H,2,15H2,1H3.
What are the key properties of ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate?
ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 284.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 66652898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).