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

C15H16N4OS — CID 7552633

IUPAC3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2csc3nc(C)nn23)c1
InChIInChI=1S/C15H16N4OS/c1-10-4-3-5-12(8-10)14(20)16-7-6-13-9-21-15-17-11(2)18-19(13)15/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)
InChIKeySLADTYXUZHAONX-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.38
Rot. Bonds4

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

3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide (PubChem CID 7552633) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
PubChem CID7552633
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2csc3nc(C)nn23)c1
InChIInChI=1S/C15H16N4OS/c1-10-4-3-5-12(8-10)14(20)16-7-6-13-9-21-15-17-11(2)18-19(13)15/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)
InChIKeySLADTYXUZHAONX-UHFFFAOYSA-N
XLogP2.38
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
3-fluoro-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7530838
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 20965885
N'-(4-ethylphenyl)-N-[2-[2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564808
3-methyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398163
3,4-difluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216139
N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 7530936
2-chloro-N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7530905
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzamide
CID 110422781
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
4-bromo-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 27555449

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide (CID 7552633) is 3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide is Cc1cccc(C(=O)NCCc2csc3nc(C)nn23)c1.
What is the InChIKey of 3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide?
The InChIKey is SLADTYXUZHAONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-4-3-5-12(8-10)14(20)16-7-6-13-9-21-15-17-11(2)18-19(13)15/h3-5,8-9H,6-7H2,1-2H3,(H,16,20).
What are the key properties of 3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide?
3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide has a molecular weight of 300.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide is sourced from PubChem (CID 7552633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).