2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid

C10H13F2NO3S — CID 103146569

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CCOCC(F)F)sc1C(=O)O
InChIInChI=1S/C10H13F2NO3S/c1-2-6-9(10(14)15)17-8(13-6)3-4-16-5-7(11)12/h7H,2-5H2,1H3,(H,14,15)
InChIKeyFYDGHQXOJXAXRL-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.23
Rot. Bonds7

About 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid

2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 103146569) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID103146569
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CCOCC(F)F)sc1C(=O)O
InChIInChI=1S/C10H13F2NO3S/c1-2-6-9(10(14)15)17-8(13-6)3-4-16-5-7(11)12/h7H,2-5H2,1H3,(H,14,15)
InChIKeyFYDGHQXOJXAXRL-UHFFFAOYSA-N
XLogP2.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 103146569) is 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(CCOCC(F)F)sc1C(=O)O.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is FYDGHQXOJXAXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-2-6-9(10(14)15)17-8(13-6)3-4-16-5-7(11)12/h7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 103146569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).