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

C10H11F2NO2S — CID 171808287

IUPACethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C(F)(F)C2CC2)s1
InChIInChI=1S/C10H11F2NO2S/c1-2-15-8(14)7-5-13-9(16-7)10(11,12)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyWJRGPFGGKJZUED-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.82
Rot. Bonds4

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

ethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate (PubChem CID 171808287) has the molecular formula C10H11F2NO2S and a molecular weight of 247.27 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate
PubChem CID171808287
Molecular FormulaC10H11F2NO2S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Nameethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C(F)(F)C2CC2)s1
InChIInChI=1S/C10H11F2NO2S/c1-2-15-8(14)7-5-13-9(16-7)10(11,12)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyWJRGPFGGKJZUED-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate (CID 171808287) is ethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(C(F)(F)C2CC2)s1.
What is the InChIKey of ethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate?
The InChIKey is WJRGPFGGKJZUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2S/c1-2-15-8(14)7-5-13-9(16-7)10(11,12)6-3-4-6/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate?
ethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate has a molecular weight of 247.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(difluoro)methyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 171808287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).