N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide

C16H20N4O3S2 — CID 7287111

IUPACN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1sc2nc(-c3ccc(OC)cc3)nn2c1C
InChIInChI=1S/C16H20N4O3S2/c1-4-25(21,22)17-10-9-14-11(2)20-16(24-14)18-15(19-20)12-5-7-13(23-3)8-6-12/h5-8,17H,4,9-10H2,1-3H3
InChIKeyIXBBGSXLUJLGCM-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.26
Rot. Bonds7

About N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide

N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide (PubChem CID 7287111) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide
PubChem CID7287111
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1sc2nc(-c3ccc(OC)cc3)nn2c1C
InChIInChI=1S/C16H20N4O3S2/c1-4-25(21,22)17-10-9-14-11(2)20-16(24-14)18-15(19-20)12-5-7-13(23-3)8-6-12/h5-8,17H,4,9-10H2,1-3H3
InChIKeyIXBBGSXLUJLGCM-UHFFFAOYSA-N
XLogP2.26
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide (CID 7287111) is N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1sc2nc(-c3ccc(OC)cc3)nn2c1C.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide?
The InChIKey is IXBBGSXLUJLGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-4-25(21,22)17-10-9-14-11(2)20-16(24-14)18-15(19-20)12-5-7-13(23-3)8-6-12/h5-8,17H,4,9-10H2,1-3H3.
What are the key properties of N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide?
N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide has a molecular weight of 380.50 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 7287111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).