2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate

C16H17F3N2O4S2 — CID 118293657

IUPAC2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate
SMILESCC(=O)OCCc1nc(-c2ccc(S(=O)(=O)NCCC(F)(F)F)cc2)cs1
InChIInChI=1S/C16H17F3N2O4S2/c1-11(22)25-9-6-15-21-14(10-26-15)12-2-4-13(5-3-12)27(23,24)20-8-7-16(17,18)19/h2-5,10,20H,6-9H2,1H3
InChIKeyKYZJFPMKSIYZBZ-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.15
Rot. Bonds8

About 2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate

2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate (PubChem CID 118293657) has the molecular formula C16H17F3N2O4S2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate
PubChem CID118293657
Molecular FormulaC16H17F3N2O4S2
Molecular Weight422.45 g/mol
Exact Mass422.06
IUPAC Name2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate
SMILESCC(=O)OCCc1nc(-c2ccc(S(=O)(=O)NCCC(F)(F)F)cc2)cs1
InChIInChI=1S/C16H17F3N2O4S2/c1-11(22)25-9-6-15-21-14(10-26-15)12-2-4-13(5-3-12)27(23,24)20-8-7-16(17,18)19/h2-5,10,20H,6-9H2,1H3
InChIKeyKYZJFPMKSIYZBZ-UHFFFAOYSA-N
XLogP3.15
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate?
The IUPAC name of 2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate (CID 118293657) is 2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate.
What is the SMILES notation for 2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate?
The canonical SMILES for 2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate is CC(=O)OCCc1nc(-c2ccc(S(=O)(=O)NCCC(F)(F)F)cc2)cs1.
What is the InChIKey of 2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate?
The InChIKey is KYZJFPMKSIYZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4S2/c1-11(22)25-9-6-15-21-14(10-26-15)12-2-4-13(5-3-12)27(23,24)20-8-7-16(17,18)19/h2-5,10,20H,6-9H2,1H3.
What are the key properties of 2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate?
2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate has a molecular weight of 422.45 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethyl acetate is sourced from PubChem (CID 118293657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).