methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate

C9H12F2N2O5S2 — CID 103081935

IUPACmethyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C9H12F2N2O5S2/c1-17-8(14)7-9(19-5-12-7)20(15,16)13-2-3-18-4-6(10)11/h5-6,13H,2-4H2,1H3
InChIKeyHFRYFCCCGOXLBF-UHFFFAOYSA-N
MW330.33 g/mol
LogP0.49
Rot. Bonds8

About methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate

methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate (PubChem CID 103081935) has the molecular formula C9H12F2N2O5S2 and a molecular weight of 330.33 g/mol. Its IUPAC name is methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
PubChem CID103081935
Molecular FormulaC9H12F2N2O5S2
Molecular Weight330.33 g/mol
Exact Mass330.02
IUPAC Namemethyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C9H12F2N2O5S2/c1-17-8(14)7-9(19-5-12-7)20(15,16)13-2-3-18-4-6(10)11/h5-6,13H,2-4H2,1H3
InChIKeyHFRYFCCCGOXLBF-UHFFFAOYSA-N
XLogP0.49
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate (CID 103081935) is methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)NCCOCC(F)F.
What is the InChIKey of methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate?
The InChIKey is HFRYFCCCGOXLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O5S2/c1-17-8(14)7-9(19-5-12-7)20(15,16)13-2-3-18-4-6(10)11/h5-6,13H,2-4H2,1H3.
What are the key properties of methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate?
methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate has a molecular weight of 330.33 g/mol, XLogP of 0.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103081935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).