benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate

C21H20N4O2S — CID 7530972

IUPACbenzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
SMILESCc1ccccc1-c1nc2scc(CCNC(=O)OCc3ccccc3)n2n1
InChIInChI=1S/C21H20N4O2S/c1-15-7-5-6-10-18(15)19-23-20-25(24-19)17(14-28-20)11-12-22-21(26)27-13-16-8-3-2-4-9-16/h2-10,14H,11-13H2,1H3,(H,22,26)
InChIKeyWBAKCEGBJHEHPY-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.24
Rot. Bonds6

About benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate

benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate (PubChem CID 7530972) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
PubChem CID7530972
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Namebenzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
SMILESCc1ccccc1-c1nc2scc(CCNC(=O)OCc3ccccc3)n2n1
InChIInChI=1S/C21H20N4O2S/c1-15-7-5-6-10-18(15)19-23-20-25(24-19)17(14-28-20)11-12-22-21(26)27-13-16-8-3-2-4-9-16/h2-10,14H,11-13H2,1H3,(H,22,26)
InChIKeyWBAKCEGBJHEHPY-UHFFFAOYSA-N
XLogP4.24
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 7530900
2-chloro-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7530905
methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
CID 7531042
N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]ethanesulfonamide
CID 27656245
N'-(3-chlorophenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 20965892
N'-(2-methoxy-5-methylphenyl)-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 20965903
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(2-methylphenyl)oxamide
CID 20965931
3,4-dimethyl-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 20965799
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-methoxyacetamide
CID 7531010
N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
benzyl N-[4-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]carbamate
CID 60510936
N'-(2-methylphenyl)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]oxamide
CID 44826640

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate (CID 7530972) is benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate is Cc1ccccc1-c1nc2scc(CCNC(=O)OCc3ccccc3)n2n1.
What is the InChIKey of benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate?
The InChIKey is WBAKCEGBJHEHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-15-7-5-6-10-18(15)19-23-20-25(24-19)17(14-28-20)11-12-22-21(26)27-13-16-8-3-2-4-9-16/h2-10,14H,11-13H2,1H3,(H,22,26).
What are the key properties of benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate?
benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate has a molecular weight of 392.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate is sourced from PubChem (CID 7530972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).