5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

C16H18N6OS — CID 134128158

IUPAC5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCOC1=CC=CN2NC(CCc3nc(-c4cncs4)cn3C)=NC12
InChIInChI=1S/C16H18N6OS/c1-21-9-11(13-8-17-10-24-13)18-15(21)6-5-14-19-16-12(23-2)4-3-7-22(16)20-14/h3-4,7-10,16H,5-6H2,1-2H3,(H,19,20)
InChIKeyVCDFFQGAYODALX-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.08
Rot. Bonds5

About 5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 134128158) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID134128158
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCOC1=CC=CN2NC(CCc3nc(-c4cncs4)cn3C)=NC12
InChIInChI=1S/C16H18N6OS/c1-21-9-11(13-8-17-10-24-13)18-15(21)6-5-14-19-16-12(23-2)4-3-7-22(16)20-14/h3-4,7-10,16H,5-6H2,1-2H3,(H,19,20)
InChIKeyVCDFFQGAYODALX-UHFFFAOYSA-N
XLogP2.08
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 134128158) is 5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is COC1=CC=CN2NC(CCc3nc(-c4cncs4)cn3C)=NC12.
What is the InChIKey of 5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is VCDFFQGAYODALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-21-9-11(13-8-17-10-24-13)18-15(21)6-5-14-19-16-12(23-2)4-3-7-22(16)20-14/h3-4,7-10,16H,5-6H2,1-2H3,(H,19,20).
What are the key properties of 5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 342.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(8-methoxy-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 134128158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).