1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide

C13H13FN4O2S2 — CID 110727083

IUPAC1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCc1csc2nncn12
InChIInChI=1S/C13H13FN4O2S2/c14-11-3-1-10(2-4-11)8-22(19,20)16-6-5-12-7-21-13-17-15-9-18(12)13/h1-4,7,9,16H,5-6,8H2
InChIKeyWLPWVGFBVXBYDY-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.59
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide (PubChem CID 110727083) has the molecular formula C13H13FN4O2S2 and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide
PubChem CID110727083
Molecular FormulaC13H13FN4O2S2
Molecular Weight340.41 g/mol
Exact Mass340.05
IUPAC Name1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCc1csc2nncn12
InChIInChI=1S/C13H13FN4O2S2/c14-11-3-1-10(2-4-11)8-22(19,20)16-6-5-12-7-21-13-17-15-9-18(12)13/h1-4,7,9,16H,5-6,8H2
InChIKeyWLPWVGFBVXBYDY-UHFFFAOYSA-N
XLogP1.59
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide (CID 110727083) is 1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCCc1csc2nncn12.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide?
The InChIKey is WLPWVGFBVXBYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2S2/c14-11-3-1-10(2-4-11)8-22(19,20)16-6-5-12-7-21-13-17-15-9-18(12)13/h1-4,7,9,16H,5-6,8H2.
What are the key properties of 1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 340.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110727083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).