4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide

C21H19ClN4OS — CID 7287056

IUPAC4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
SMILESCc1ccc(-c2nc3sc(CCNC(=O)c4ccc(Cl)cc4)c(C)n3n2)cc1
InChIInChI=1S/C21H19ClN4OS/c1-13-3-5-15(6-4-13)19-24-21-26(25-19)14(2)18(28-21)11-12-23-20(27)16-7-9-17(22)10-8-16/h3-10H,11-12H2,1-2H3,(H,23,27)
InChIKeyFUTBIKCVGJORCT-UHFFFAOYSA-N
MW410.93 g/mol
LogP4.70
Rot. Bonds5

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

4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide (PubChem CID 7287056) has the molecular formula C21H19ClN4OS and a molecular weight of 410.93 g/mol. Its IUPAC name is 4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
PubChem CID7287056
Molecular FormulaC21H19ClN4OS
Molecular Weight410.93 g/mol
Exact Mass410.10
IUPAC Name4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
SMILESCc1ccc(-c2nc3sc(CCNC(=O)c4ccc(Cl)cc4)c(C)n3n2)cc1
InChIInChI=1S/C21H19ClN4OS/c1-13-3-5-15(6-4-13)19-24-21-26(25-19)14(2)18(28-21)11-12-23-20(27)16-7-9-17(22)10-8-16/h3-10H,11-12H2,1-2H3,(H,23,27)
InChIKeyFUTBIKCVGJORCT-UHFFFAOYSA-N
XLogP4.70
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-methylbenzamide
CID 7287073
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-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide
CID 22584853
N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-fluorobenzamide
CID 7216168
4-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216134
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
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771
2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate
CID 6927290
4-butoxy-N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 18564628
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
N'-(4-chlorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564694

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide?
The IUPAC name of 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) is 4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide is Cc1ccc(-c2nc3sc(CCNC(=O)c4ccc(Cl)cc4)c(C)n3n2)cc1.
What is the InChIKey of 4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide?
The InChIKey is FUTBIKCVGJORCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4OS/c1-13-3-5-15(6-4-13)19-24-21-26(25-19)14(2)18(28-21)11-12-23-20(27)16-7-9-17(22)10-8-16/h3-10H,11-12H2,1-2H3,(H,23,27).
What are the key properties of 4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide?
4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide has a molecular weight of 410.93 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 7287056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).