2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride

C7H7ClF3NO3S2 — CID 125493810

IUPAC2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)c(OCC(F)(F)F)s1
InChIInChI=1S/C7H7ClF3NO3S2/c1-2-4-12-5(17(8,13)14)6(16-4)15-3-7(9,10)11/h2-3H2,1H3
InChIKeyJDXFSMDQEVQVEH-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.57
Rot. Bonds4

About 2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride

2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride (PubChem CID 125493810) has the molecular formula C7H7ClF3NO3S2 and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride
PubChem CID125493810
Molecular FormulaC7H7ClF3NO3S2
Molecular Weight309.72 g/mol
Exact Mass308.95
IUPAC Name2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)c(OCC(F)(F)F)s1
InChIInChI=1S/C7H7ClF3NO3S2/c1-2-4-12-5(17(8,13)14)6(16-4)15-3-7(9,10)11/h2-3H2,1H3
InChIKeyJDXFSMDQEVQVEH-UHFFFAOYSA-N
XLogP2.57
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride?
The IUPAC name of 2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride (CID 125493810) is 2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride?
The canonical SMILES for 2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)c(OCC(F)(F)F)s1.
What is the InChIKey of 2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride?
The InChIKey is JDXFSMDQEVQVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3NO3S2/c1-2-4-12-5(17(8,13)14)6(16-4)15-3-7(9,10)11/h2-3H2,1H3.
What are the key properties of 2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride?
2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride has a molecular weight of 309.72 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride is sourced from PubChem (CID 125493810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).