ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate

C7H7F2NO3S — CID 45117610

IUPACethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(OC(F)F)n1
InChIInChI=1S/C7H7F2NO3S/c1-2-12-5(11)4-3-14-7(10-4)13-6(8)9/h3,6H,2H2,1H3
InChIKeyGDGBIFJYRQGCPR-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.92
Rot. Bonds4

About ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate

ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate (PubChem CID 45117610) has the molecular formula C7H7F2NO3S and a molecular weight of 223.20 g/mol. Its IUPAC name is ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate
PubChem CID45117610
Molecular FormulaC7H7F2NO3S
Molecular Weight223.20 g/mol
Exact Mass223.01
IUPAC Nameethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(OC(F)F)n1
InChIInChI=1S/C7H7F2NO3S/c1-2-12-5(11)4-3-14-7(10-4)13-6(8)9/h3,6H,2H2,1H3
InChIKeyGDGBIFJYRQGCPR-UHFFFAOYSA-N
XLogP1.92
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-methyl-1,3-thiazole-4-carboxylate
CID 293353
Ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 353965
Methyl 2-bromothiazole-4-carboxylate
CID 2763213
4-Thiazolecarboxylic acid, 2-propyl-, ethyl ester
CID 203631
Methyl 1,3-thiazole-4-carboxylate
CID 2773414
Ethyl 1,3-thiazole-4-carboxylate
CID 5003096
Ethyl 2-ethynylthiazole-4-carboxylate
CID 59110523
Ethyl 2-(perfluoroethyl)thiazole-4-carboxylate
CID 20086718
2-(Ethoxycarbonyl)-1,3-thiazole-4-carboxylic acid
CID 53487863
Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate
CID 801076
Ethyl 2-formyl-1,3-thiazole-4-carboxylate
CID 11355896
Methyl 2-formyl-1,3-thiazole-4-carboxylate
CID 15953680

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate (CID 45117610) is ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(OC(F)F)n1.
What is the InChIKey of ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate?
The InChIKey is GDGBIFJYRQGCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3S/c1-2-12-5(11)4-3-14-7(10-4)13-6(8)9/h3,6H,2H2,1H3.
What are the key properties of ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate?
ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate has a molecular weight of 223.20 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethoxy)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 45117610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).