1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide

C13H13F3N2O2S2 — CID 139604852

IUPAC1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCC(C)c1nc(NS(=O)(=O)C(F)(F)F)sc1-c1ccccc1
InChIInChI=1S/C13H13F3N2O2S2/c1-8(2)10-11(9-6-4-3-5-7-9)21-12(17-10)18-22(19,20)13(14,15)16/h3-8H,1-2H3,(H,17,18)
InChIKeyWXVURRIQEYXSIU-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.20
Rot. Bonds4

About 1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide

1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide (PubChem CID 139604852) has the molecular formula C13H13F3N2O2S2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide
PubChem CID139604852
Molecular FormulaC13H13F3N2O2S2
Molecular Weight350.39 g/mol
Exact Mass350.04
IUPAC Name1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide
SMILESCC(C)c1nc(NS(=O)(=O)C(F)(F)F)sc1-c1ccccc1
InChIInChI=1S/C13H13F3N2O2S2/c1-8(2)10-11(9-6-4-3-5-7-9)21-12(17-10)18-22(19,20)13(14,15)16/h3-8H,1-2H3,(H,17,18)
InChIKeyWXVURRIQEYXSIU-UHFFFAOYSA-N
XLogP4.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide (CID 139604852) is 1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide is CC(C)c1nc(NS(=O)(=O)C(F)(F)F)sc1-c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide?
The InChIKey is WXVURRIQEYXSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2S2/c1-8(2)10-11(9-6-4-3-5-7-9)21-12(17-10)18-22(19,20)13(14,15)16/h3-8H,1-2H3,(H,17,18).
What are the key properties of 1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide?
1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide has a molecular weight of 350.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 139604852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).