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

C17H20N4O2S — CID 7287093

IUPACN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1sc2nc(-c3ccc(OC)cc3)nn2c1C
InChIInChI=1S/C17H20N4O2S/c1-4-15(22)18-10-9-14-11(2)21-17(24-14)19-16(20-21)12-5-7-13(23-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyMZGSVBQPQPVPGL-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.84
Rot. Bonds6

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

N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]propanamide (PubChem CID 7287093) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 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]propanamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]propanamide
PubChem CID7287093
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1sc2nc(-c3ccc(OC)cc3)nn2c1C
InChIInChI=1S/C17H20N4O2S/c1-4-15(22)18-10-9-14-11(2)21-17(24-14)19-16(20-21)12-5-7-13(23-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyMZGSVBQPQPVPGL-UHFFFAOYSA-N
XLogP2.84
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]propanamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]propanamide (CID 7287093) is N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]propanamide.
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]propanamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]propanamide is CCC(=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]propanamide?
The InChIKey is MZGSVBQPQPVPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-4-15(22)18-10-9-14-11(2)21-17(24-14)19-16(20-21)12-5-7-13(23-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,18,22).
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]propanamide?
N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]propanamide has a molecular weight of 344.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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]propanamide is sourced from PubChem (CID 7287093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).