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

C15H9F3N2O4S3 — CID 86567690

IUPAC5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1csc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C15H9F3N2O4S3/c16-15(17,18)12-10(8-4-2-1-3-5-8)9(6-25-12)27(23,24)20-13-11(14(21)22)19-7-26-13/h1-7,20H,(H,21,22)
InChIKeyBGESBQSXEHZLTR-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.39
Rot. Bonds5

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

5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 86567690) has the molecular formula C15H9F3N2O4S3 and a molecular weight of 434.44 g/mol. Its IUPAC name is 5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID86567690
Molecular FormulaC15H9F3N2O4S3
Molecular Weight434.44 g/mol
Exact Mass433.97
IUPAC Name5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1csc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C15H9F3N2O4S3/c16-15(17,18)12-10(8-4-2-1-3-5-8)9(6-25-12)27(23,24)20-13-11(14(21)22)19-7-26-13/h1-7,20H,(H,21,22)
InChIKeyBGESBQSXEHZLTR-UHFFFAOYSA-N
XLogP4.39
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 86567690) is 5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NS(=O)(=O)c1csc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is BGESBQSXEHZLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O4S3/c16-15(17,18)12-10(8-4-2-1-3-5-8)9(6-25-12)27(23,24)20-13-11(14(21)22)19-7-26-13/h1-7,20H,(H,21,22).
What are the key properties of 5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 434.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86567690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).