5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole

C16H16N6S — CID 53250345

IUPAC5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole
SMILESCc1cccn2nc(CCc3nc(-c4cncs4)cn3C)nc12
InChIInChI=1S/C16H16N6S/c1-11-4-3-7-22-16(11)19-14(20-22)5-6-15-18-12(9-21(15)2)13-8-17-10-23-13/h3-4,7-10H,5-6H2,1-2H3
InChIKeyITYLDOPKYQATHT-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.68
Rot. Bonds4

About 5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole

5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole (PubChem CID 53250345) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole
PubChem CID53250345
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole
SMILESCc1cccn2nc(CCc3nc(-c4cncs4)cn3C)nc12
InChIInChI=1S/C16H16N6S/c1-11-4-3-7-22-16(11)19-14(20-22)5-6-15-18-12(9-21(15)2)13-8-17-10-23-13/h3-4,7-10H,5-6H2,1-2H3
InChIKeyITYLDOPKYQATHT-UHFFFAOYSA-N
XLogP2.68
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole?
The IUPAC name of 5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole (CID 53250345) is 5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole is Cc1cccn2nc(CCc3nc(-c4cncs4)cn3C)nc12.
What is the InChIKey of 5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole?
The InChIKey is ITYLDOPKYQATHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-11-4-3-7-22-16(11)19-14(20-22)5-6-15-18-12(9-21(15)2)13-8-17-10-23-13/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole?
5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole has a molecular weight of 324.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 53250345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).