methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate

C15H15F3N2O4S2 — CID 118302036

IUPACmethyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate
SMILESCOC(=O)Cc1ncc(-c2ccc(S(=O)(=O)NCCC(F)(F)F)cc2)s1
InChIInChI=1S/C15H15F3N2O4S2/c1-24-14(21)8-13-19-9-12(25-13)10-2-4-11(5-3-10)26(22,23)20-7-6-15(16,17)18/h2-5,9,20H,6-8H2,1H3
InChIKeyVGYNZUPIOBILKQ-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.76
Rot. Bonds7

About methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate

methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate (PubChem CID 118302036) has the molecular formula C15H15F3N2O4S2 and a molecular weight of 408.42 g/mol. Its IUPAC name is methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate
PubChem CID118302036
Molecular FormulaC15H15F3N2O4S2
Molecular Weight408.42 g/mol
Exact Mass408.04
IUPAC Namemethyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate
SMILESCOC(=O)Cc1ncc(-c2ccc(S(=O)(=O)NCCC(F)(F)F)cc2)s1
InChIInChI=1S/C15H15F3N2O4S2/c1-24-14(21)8-13-19-9-12(25-13)10-2-4-11(5-3-10)26(22,23)20-7-6-15(16,17)18/h2-5,9,20H,6-8H2,1H3
InChIKeyVGYNZUPIOBILKQ-UHFFFAOYSA-N
XLogP2.76
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-iodoethyl 2-[4-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate
CID 144595482
methyl 2-[4-(3,3-dimethylbutylsulfamoyl)phenyl]acetate
CID 115625364
methyl 2-(5-fluoro-1,3-thiazol-2-yl)acetate
CID 131118432
5-(3,3,3-trifluoropropylsulfamoyl)pyridine-2-carbothioamide
CID 114614446
methyl 4-[5-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]butanoate
CID 142715393
2-methoxy-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
CID 63225957
4-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 63227851
4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 138979627
methyl 7-(3,3,3-trifluoropropylsulfamoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 11314566
methyl 6-[(4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)hexanoate
CID 162410198
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate (CID 118302036) is methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate is COC(=O)Cc1ncc(-c2ccc(S(=O)(=O)NCCC(F)(F)F)cc2)s1.
What is the InChIKey of methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate?
The InChIKey is VGYNZUPIOBILKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O4S2/c1-24-14(21)8-13-19-9-12(25-13)10-2-4-11(5-3-10)26(22,23)20-7-6-15(16,17)18/h2-5,9,20H,6-8H2,1H3.
What are the key properties of methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate?
methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate has a molecular weight of 408.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[4-(3,3,3-trifluoropropylsulfamoyl)phenyl]-1,3-thiazol-2-yl]acetate is sourced from PubChem (CID 118302036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).