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

C16H16N6S — CID 71059359

IUPAC4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole
SMILESCc1ccc(C)n2nc(CCc3cnc(-c4cscn4)[nH]3)nc12
InChIInChI=1S/C16H16N6S/c1-10-3-4-11(2)22-16(10)20-14(21-22)6-5-12-7-17-15(19-12)13-8-23-9-18-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)
InChIKeyASWPXIZGUQHKFP-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.98
Rot. Bonds4

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

4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole (PubChem CID 71059359) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole
PubChem CID71059359
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole
SMILESCc1ccc(C)n2nc(CCc3cnc(-c4cscn4)[nH]3)nc12
InChIInChI=1S/C16H16N6S/c1-10-3-4-11(2)22-16(10)20-14(21-22)6-5-12-7-17-15(19-12)13-8-23-9-18-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)
InChIKeyASWPXIZGUQHKFP-UHFFFAOYSA-N
XLogP2.98
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole (CID 71059359) is 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole is Cc1ccc(C)n2nc(CCc3cnc(-c4cscn4)[nH]3)nc12.
What is the InChIKey of 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
The InChIKey is ASWPXIZGUQHKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-10-3-4-11(2)22-16(10)20-14(21-22)6-5-12-7-17-15(19-12)13-8-23-9-18-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,19).
What are the key properties of 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole?
4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole has a molecular weight of 324.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 71059359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).