N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide

C22H24N4O2S — CID 108728899

IUPACN-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide
SMILESCOc1cccc(-c2csc3nc(NC(=O)C45CC6CC(CC(C6)C4)C5)nn23)c1
InChIInChI=1S/C22H24N4O2S/c1-28-17-4-2-3-16(8-17)18-12-29-21-24-20(25-26(18)21)23-19(27)22-9-13-5-14(10-22)7-15(6-13)11-22/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,23,25,27)
InChIKeyZOGVHKUNYJKFMX-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.62
Rot. Bonds4

About N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide

N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide (PubChem CID 108728899) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide
PubChem CID108728899
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide
SMILESCOc1cccc(-c2csc3nc(NC(=O)C45CC6CC(CC(C6)C4)C5)nn23)c1
InChIInChI=1S/C22H24N4O2S/c1-28-17-4-2-3-16(8-17)18-12-29-21-24-20(25-26(18)21)23-19(27)22-9-13-5-14(10-22)7-15(6-13)11-22/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,23,25,27)
InChIKeyZOGVHKUNYJKFMX-UHFFFAOYSA-N
XLogP4.62
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide 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

2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108752671
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenylacetamide
CID 108752715
2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752707
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]pyridine-3-carboxamide
CID 108752676
4-butyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexane-1-carboxamide
CID 108728852
N-[2-[[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-oxoethyl]benzamide
CID 108752703
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108728950
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108752758
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butanamide
CID 108810176
7-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1H-indole-2-carboxamide
CID 108728980
N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]adamantane-1-carboxamide
CID 42694599
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108729059

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide (CID 108728899) is N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide is COc1cccc(-c2csc3nc(NC(=O)C45CC6CC(CC(C6)C4)C5)nn23)c1.
What is the InChIKey of N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide?
The InChIKey is ZOGVHKUNYJKFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-28-17-4-2-3-16(8-17)18-12-29-21-24-20(25-26(18)21)23-19(27)22-9-13-5-14(10-22)7-15(6-13)11-22/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,23,25,27).
What are the key properties of N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide?
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 108728899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).