5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid

C11H7F3N2O4S2 — CID 86567415

IUPAC5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H7F3N2O4S2/c12-11(13,14)6-1-3-7(4-2-6)22(19,20)16-9-8(10(17)18)15-5-21-9/h1-5,16H,(H,17,18)
InChIKeyKKSUCSVBMAEHIO-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.66
Rot. Bonds4

About 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid

5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 86567415) has the molecular formula C11H7F3N2O4S2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID86567415
Molecular FormulaC11H7F3N2O4S2
Molecular Weight352.32 g/mol
Exact Mass351.98
IUPAC Name5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H7F3N2O4S2/c12-11(13,14)6-1-3-7(4-2-6)22(19,20)16-9-8(10(17)18)15-5-21-9/h1-5,16H,(H,17,18)
InChIKeyKKSUCSVBMAEHIO-UHFFFAOYSA-N
XLogP2.66
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 86567415) is 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is KKSUCSVBMAEHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O4S2/c12-11(13,14)6-1-3-7(4-2-6)22(19,20)16-9-8(10(17)18)15-5-21-9/h1-5,16H,(H,17,18).
What are the key properties of 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 352.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86567415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).