5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid

C7H6F4N2O2S — CID 106295399

IUPAC5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCC(F)(F)C(F)F
InChIInChI=1S/C7H6F4N2O2S/c8-6(9)7(10,11)1-12-4-3(5(14)15)13-2-16-4/h2,6,12H,1H2,(H,14,15)
InChIKeyAUJGJVDRGPUQMW-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.15
Rot. Bonds5

About 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid

5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 106295399) has the molecular formula C7H6F4N2O2S and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID106295399
Molecular FormulaC7H6F4N2O2S
Molecular Weight258.20 g/mol
Exact Mass258.01
IUPAC Name5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCC(F)(F)C(F)F
InChIInChI=1S/C7H6F4N2O2S/c8-6(9)7(10,11)1-12-4-3(5(14)15)13-2-16-4/h2,6,12H,1H2,(H,14,15)
InChIKeyAUJGJVDRGPUQMW-UHFFFAOYSA-N
XLogP2.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid (CID 106295399) is 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NCC(F)(F)C(F)F.
What is the InChIKey of 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is AUJGJVDRGPUQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O2S/c8-6(9)7(10,11)1-12-4-3(5(14)15)13-2-16-4/h2,6,12H,1H2,(H,14,15).
What are the key properties of 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid?
5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 258.20 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106295399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).