5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole

C21H22N6S — CID 118472600

IUPAC5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESCc1cc(C2CCCN(Cc3cnc(-c4ccccc4)s3)C2)n2ncnc2n1
InChIInChI=1S/C21H22N6S/c1-15-10-19(27-21(25-15)23-14-24-27)17-8-5-9-26(12-17)13-18-11-22-20(28-18)16-6-3-2-4-7-16/h2-4,6-7,10-11,14,17H,5,8-9,12-13H2,1H3
InChIKeyYRXCVJKZYZUWTJ-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.94
Rot. Bonds4

About 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole

5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole (PubChem CID 118472600) has the molecular formula C21H22N6S and a molecular weight of 390.52 g/mol. Its IUPAC name is 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole
PubChem CID118472600
Molecular FormulaC21H22N6S
Molecular Weight390.52 g/mol
Exact Mass390.16
IUPAC Name5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESCc1cc(C2CCCN(Cc3cnc(-c4ccccc4)s3)C2)n2ncnc2n1
InChIInChI=1S/C21H22N6S/c1-15-10-19(27-21(25-15)23-14-24-27)17-8-5-9-26(12-17)13-18-11-22-20(28-18)16-6-3-2-4-7-16/h2-4,6-7,10-11,14,17H,5,8-9,12-13H2,1H3
InChIKeyYRXCVJKZYZUWTJ-UHFFFAOYSA-N
XLogP3.94
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole (CID 118472600) is 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole is Cc1cc(C2CCCN(Cc3cnc(-c4ccccc4)s3)C2)n2ncnc2n1.
What is the InChIKey of 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The InChIKey is YRXCVJKZYZUWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6S/c1-15-10-19(27-21(25-15)23-14-24-27)17-8-5-9-26(12-17)13-18-11-22-20(28-18)16-6-3-2-4-7-16/h2-4,6-7,10-11,14,17H,5,8-9,12-13H2,1H3.
What are the key properties of 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole?
5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole has a molecular weight of 390.52 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 118472600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).