methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate

C8H8F4N2O4S2 — CID 103577897

IUPACmethyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H8F4N2O4S2/c1-18-5(15)4-6(19-3-13-4)20(16,17)14-2-8(11,12)7(9)10/h3,7,14H,2H2,1H3
InChIKeyASMQEWWRFNEICC-UHFFFAOYSA-N
MW336.29 g/mol
LogP1.11
Rot. Bonds6

About methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate

methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate (PubChem CID 103577897) has the molecular formula C8H8F4N2O4S2 and a molecular weight of 336.29 g/mol. Its IUPAC name is methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate
PubChem CID103577897
Molecular FormulaC8H8F4N2O4S2
Molecular Weight336.29 g/mol
Exact Mass335.99
IUPAC Namemethyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H8F4N2O4S2/c1-18-5(15)4-6(19-3-13-4)20(16,17)14-2-8(11,12)7(9)10/h3,7,14H,2H2,1H3
InChIKeyASMQEWWRFNEICC-UHFFFAOYSA-N
XLogP1.11
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate (CID 103577897) is methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ASMQEWWRFNEICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O4S2/c1-18-5(15)4-6(19-3-13-4)20(16,17)14-2-8(11,12)7(9)10/h3,7,14H,2H2,1H3.
What are the key properties of methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate?
methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate has a molecular weight of 336.29 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103577897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).