ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate

C10H11F2NO2S — CID 171808375

IUPACethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(CC2CC2(F)F)s1
InChIInChI=1S/C10H11F2NO2S/c1-2-15-9(14)7-5-13-8(16-7)3-6-4-10(6,11)12/h5-6H,2-4H2,1H3
InChIKeyJUODACJPUKNSHB-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.52
Rot. Bonds4

About ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate

ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate (PubChem CID 171808375) has the molecular formula C10H11F2NO2S and a molecular weight of 247.27 g/mol. Its IUPAC name is ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate
PubChem CID171808375
Molecular FormulaC10H11F2NO2S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Nameethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(CC2CC2(F)F)s1
InChIInChI=1S/C10H11F2NO2S/c1-2-15-9(14)7-5-13-8(16-7)3-6-4-10(6,11)12/h5-6H,2-4H2,1H3
InChIKeyJUODACJPUKNSHB-UHFFFAOYSA-N
XLogP2.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
Ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 15171126
2-(Cyclopropylmethyl)-1,3-thiazole-5-carboxylic acid
CID 80484484
But-3-ynyl 2-propyl-1,3-thiazole-5-carboxylate
CID 71988250
3,3,3-Trifluoropropyl 2-tert-butyl-1,3-thiazole-5-carboxylate
CID 75417414
Methyl 2-(piperidin-4-yl)-1,3-thiazole-5-carboxylate
CID 59679270
Methyl 2-(2,2,2-trifluoroethoxy)thiazole-5-carboxylate
CID 117839785
Methyl 2-(difluoromethyl)thiazole-5-carboxylate
CID 132091114
Ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate
CID 156769458
Ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate
CID 158423307
2-Cyclobutylacetonitrile;ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 169169840
methyl 2-[[(3S)-1-(3,3-difluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxylate
CID 170950818

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate (CID 171808375) is ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(CC2CC2(F)F)s1.
What is the InChIKey of ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate?
The InChIKey is JUODACJPUKNSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2S/c1-2-15-9(14)7-5-13-8(16-7)3-6-4-10(6,11)12/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate?
ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate has a molecular weight of 247.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2-difluorocyclopropyl)methyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 171808375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).