N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide

C15H18N4O2S2 — CID 27656245

IUPACN-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1csc2nc(-c3ccccc3C)nn12
InChIInChI=1S/C15H18N4O2S2/c1-3-23(20,21)16-9-8-12-10-22-15-17-14(18-19(12)15)13-7-5-4-6-11(13)2/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyLSIJTXSTEUPFBD-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.25
Rot. Bonds6

About N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide

N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide (PubChem CID 27656245) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide
PubChem CID27656245
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC NameN-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1csc2nc(-c3ccccc3C)nn12
InChIInChI=1S/C15H18N4O2S2/c1-3-23(20,21)16-9-8-12-10-22-15-17-14(18-19(12)15)13-7-5-4-6-11(13)2/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyLSIJTXSTEUPFBD-UHFFFAOYSA-N
XLogP2.25
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide (CID 27656245) is N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1csc2nc(-c3ccccc3C)nn12.
What is the InChIKey of N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide?
The InChIKey is LSIJTXSTEUPFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-3-23(20,21)16-9-8-12-10-22-15-17-14(18-19(12)15)13-7-5-4-6-11(13)2/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide?
N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide has a molecular weight of 350.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 27656245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).