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

C19H24N4O2S — CID 7287095

IUPACN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2nc3sc(CCNC(=O)C(C)(C)C)c(C)n3n2)cc1
InChIInChI=1S/C19H24N4O2S/c1-12-15(10-11-20-17(24)19(2,3)4)26-18-21-16(22-23(12)18)13-6-8-14(25-5)9-7-13/h6-9H,10-11H2,1-5H3,(H,20,24)
InChIKeyGMCSQCMOIOLESJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.48
Rot. Bonds5

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

N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 7287095) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 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]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID7287095
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2nc3sc(CCNC(=O)C(C)(C)C)c(C)n3n2)cc1
InChIInChI=1S/C19H24N4O2S/c1-12-15(10-11-20-17(24)19(2,3)4)26-18-21-16(22-23(12)18)13-6-8-14(25-5)9-7-13/h6-9H,10-11H2,1-5H3,(H,20,24)
InChIKeyGMCSQCMOIOLESJ-UHFFFAOYSA-N
XLogP3.48
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.48
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]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide (CID 7287095) is N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide.
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]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide is COc1ccc(-c2nc3sc(CCNC(=O)C(C)(C)C)c(C)n3n2)cc1.
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]-2,2-dimethylpropanamide?
The InChIKey is GMCSQCMOIOLESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-12-15(10-11-20-17(24)19(2,3)4)26-18-21-16(22-23(12)18)13-6-8-14(25-5)9-7-13/h6-9H,10-11H2,1-5H3,(H,20,24).
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]-2,2-dimethylpropanamide?
N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 372.49 g/mol, XLogP of 3.48, 5 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 7287095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).