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

C15H17BrN6S — CID 118470986

IUPAC2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(C2CCCN(Cc3csc(Br)n3)C2)n2ncnc2n1
InChIInChI=1S/C15H17BrN6S/c1-10-5-13(22-15(19-10)17-9-18-22)11-3-2-4-21(6-11)7-12-8-23-14(16)20-12/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyCYUCHWSHHRJWOH-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.03
Rot. Bonds3

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

2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 118470986) has the molecular formula C15H17BrN6S and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID118470986
Molecular FormulaC15H17BrN6S
Molecular Weight393.31 g/mol
Exact Mass392.04
IUPAC Name2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(C2CCCN(Cc3csc(Br)n3)C2)n2ncnc2n1
InChIInChI=1S/C15H17BrN6S/c1-10-5-13(22-15(19-10)17-9-18-22)11-3-2-4-21(6-11)7-12-8-23-14(16)20-12/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyCYUCHWSHHRJWOH-UHFFFAOYSA-N
XLogP3.03
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 118470986) is 2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1cc(C2CCCN(Cc3csc(Br)n3)C2)n2ncnc2n1.
What is the InChIKey of 2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is CYUCHWSHHRJWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN6S/c1-10-5-13(22-15(19-10)17-9-18-22)11-3-2-4-21(6-11)7-12-8-23-14(16)20-12/h5,8-9,11H,2-4,6-7H2,1H3.
What are the key properties of 2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 393.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118470986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).