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

C20H19N5S — CID 133358948

IUPAC5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole
SMILESc1ccc(-c2cnc(N3CCCC(c4nnc5ccccn45)C3)s2)cc1
InChIInChI=1S/C20H19N5S/c1-2-7-15(8-3-1)17-13-21-20(26-17)24-11-6-9-16(14-24)19-23-22-18-10-4-5-12-25(18)19/h1-5,7-8,10,12-13,16H,6,9,11,14H2
InChIKeyAKEBDIGTQUZUEW-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.24
Rot. Bonds3

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

5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole (PubChem CID 133358948) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole
PubChem CID133358948
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole
SMILESc1ccc(-c2cnc(N3CCCC(c4nnc5ccccn45)C3)s2)cc1
InChIInChI=1S/C20H19N5S/c1-2-7-15(8-3-1)17-13-21-20(26-17)24-11-6-9-16(14-24)19-23-22-18-10-4-5-12-25(18)19/h1-5,7-8,10,12-13,16H,6,9,11,14H2
InChIKeyAKEBDIGTQUZUEW-UHFFFAOYSA-N
XLogP4.24
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole (CID 133358948) is 5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole is c1ccc(-c2cnc(N3CCCC(c4nnc5ccccn45)C3)s2)cc1.
What is the InChIKey of 5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole?
The InChIKey is AKEBDIGTQUZUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-2-7-15(8-3-1)17-13-21-20(26-17)24-11-6-9-16(14-24)19-23-22-18-10-4-5-12-25(18)19/h1-5,7-8,10,12-13,16H,6,9,11,14H2.
What are the key properties of 5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole?
5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole has a molecular weight of 361.47 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 133358948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).