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

C22H22N4O2S — CID 7287073

IUPACN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-methylbenzamide
SMILESCOc1ccc(-c2nc3sc(CCNC(=O)c4ccc(C)cc4)c(C)n3n2)cc1
InChIInChI=1S/C22H22N4O2S/c1-14-4-6-17(7-5-14)21(27)23-13-12-19-15(2)26-22(29-19)24-20(25-26)16-8-10-18(28-3)11-9-16/h4-11H,12-13H2,1-3H3,(H,23,27)
InChIKeyVPCLZAMDAZEYRS-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.06
Rot. Bonds6

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

N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-methylbenzamide (PubChem CID 7287073) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 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]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-methylbenzamide
PubChem CID7287073
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-methylbenzamide
SMILESCOc1ccc(-c2nc3sc(CCNC(=O)c4ccc(C)cc4)c(C)n3n2)cc1
InChIInChI=1S/C22H22N4O2S/c1-14-4-6-17(7-5-14)21(27)23-13-12-19-15(2)26-22(29-19)24-20(25-26)16-8-10-18(28-3)11-9-16/h4-11H,12-13H2,1-3H3,(H,23,27)
InChIKeyVPCLZAMDAZEYRS-UHFFFAOYSA-N
XLogP4.06
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
CID 7287056
N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide
CID 44827461
3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
CID 7287078
2-(4-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]acetamide
CID 7287107
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzamide
CID 7222729
N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
4-methoxy-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110401518
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide
CID 7503000
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75489199
4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide
CID 22584837

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]-4-methylbenzamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-methylbenzamide (CID 7287073) is N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-methylbenzamide.
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]-4-methylbenzamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-methylbenzamide is COc1ccc(-c2nc3sc(CCNC(=O)c4ccc(C)cc4)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]-4-methylbenzamide?
The InChIKey is VPCLZAMDAZEYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-14-4-6-17(7-5-14)21(27)23-13-12-19-15(2)26-22(29-19)24-20(25-26)16-8-10-18(28-3)11-9-16/h4-11H,12-13H2,1-3H3,(H,23,27).
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]-4-methylbenzamide?
N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-methylbenzamide has a molecular weight of 406.51 g/mol, XLogP of 4.06, 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]-4-methylbenzamide is sourced from PubChem (CID 7287073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).