ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate

C13H11F2NO2S — CID 59291595

IUPACethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)sc1-c1ccccc1
InChIInChI=1S/C13H11F2NO2S/c1-2-18-13(17)9-10(8-6-4-3-5-7-8)19-12(16-9)11(14)15/h3-7,11H,2H2,1H3
InChIKeyMUCOKIMBOBZTPD-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.92
Rot. Bonds4

About ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate

ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 59291595) has the molecular formula C13H11F2NO2S and a molecular weight of 283.30 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate
PubChem CID59291595
Molecular FormulaC13H11F2NO2S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC Nameethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)sc1-c1ccccc1
InChIInChI=1S/C13H11F2NO2S/c1-2-18-13(17)9-10(8-6-4-3-5-7-8)19-12(16-9)11(14)15/h3-7,11H,2H2,1H3
InChIKeyMUCOKIMBOBZTPD-UHFFFAOYSA-N
XLogP3.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate (CID 59291595) is ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C(F)F)sc1-c1ccccc1.
What is the InChIKey of ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is MUCOKIMBOBZTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S/c1-2-18-13(17)9-10(8-6-4-3-5-7-8)19-12(16-9)11(14)15/h3-7,11H,2H2,1H3.
What are the key properties of ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate?
ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 283.30 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethyl)-5-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59291595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).