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

C22H24N6OS — CID 118472424

IUPAC2-(3-methoxyphenyl)-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cccc(-c2ncc(CN3CCCC(c4cc(C)nc5ncnn45)C3)s2)c1
InChIInChI=1S/C22H24N6OS/c1-15-9-20(28-22(26-15)24-14-25-28)17-6-4-8-27(12-17)13-19-11-23-21(30-19)16-5-3-7-18(10-16)29-2/h3,5,7,9-11,14,17H,4,6,8,12-13H2,1-2H3
InChIKeyFIOGFTJUGKEXFR-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.94
Rot. Bonds5

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

2-(3-methoxyphenyl)-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 118472424) has the molecular formula C22H24N6OS and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID118472424
Molecular FormulaC22H24N6OS
Molecular Weight420.54 g/mol
Exact Mass420.17
IUPAC Name2-(3-methoxyphenyl)-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cccc(-c2ncc(CN3CCCC(c4cc(C)nc5ncnn45)C3)s2)c1
InChIInChI=1S/C22H24N6OS/c1-15-9-20(28-22(26-15)24-14-25-28)17-6-4-8-27(12-17)13-19-11-23-21(30-19)16-5-3-7-18(10-16)29-2/h3,5,7,9-11,14,17H,4,6,8,12-13H2,1-2H3
InChIKeyFIOGFTJUGKEXFR-UHFFFAOYSA-N
XLogP3.94
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-[[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-(3-methoxyphenyl)-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 118472424) is 2-(3-methoxyphenyl)-5-[[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-(3-methoxyphenyl)-5-[[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-(3-methoxyphenyl)-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole is COc1cccc(-c2ncc(CN3CCCC(c4cc(C)nc5ncnn45)C3)s2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is FIOGFTJUGKEXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS/c1-15-9-20(28-22(26-15)24-14-25-28)17-6-4-8-27(12-17)13-19-11-23-21(30-19)16-5-3-7-18(10-16)29-2/h3,5,7,9-11,14,17H,4,6,8,12-13H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
2-(3-methoxyphenyl)-5-[[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 420.54 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-[[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 118472424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).