5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole

C19H19N7OS — CID 167893824

IUPAC5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole
SMILESc1cnn(-c2cc(-c3noc(-c4csc(CC5CCNCC5)n4)n3)ccn2)c1
InChIInChI=1S/C19H19N7OS/c1-5-22-26(9-1)16-11-14(4-8-21-16)18-24-19(27-25-18)15-12-28-17(23-15)10-13-2-6-20-7-3-13/h1,4-5,8-9,11-13,20H,2-3,6-7,10H2
InChIKeyPUNFWSRGCCEAEO-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.98
Rot. Bonds5

About 5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole

5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 167893824) has the molecular formula C19H19N7OS and a molecular weight of 393.48 g/mol. Its IUPAC name is 5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID167893824
Molecular FormulaC19H19N7OS
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole
SMILESc1cnn(-c2cc(-c3noc(-c4csc(CC5CCNCC5)n4)n3)ccn2)c1
InChIInChI=1S/C19H19N7OS/c1-5-22-26(9-1)16-11-14(4-8-21-16)18-24-19(27-25-18)15-12-28-17(23-15)10-13-2-6-20-7-3-13/h1,4-5,8-9,11-13,20H,2-3,6-7,10H2
InChIKeyPUNFWSRGCCEAEO-UHFFFAOYSA-N
XLogP2.98
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole (CID 167893824) is 5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole is c1cnn(-c2cc(-c3noc(-c4csc(CC5CCNCC5)n4)n3)ccn2)c1.
What is the InChIKey of 5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is PUNFWSRGCCEAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7OS/c1-5-22-26(9-1)16-11-14(4-8-21-16)18-24-19(27-25-18)15-12-28-17(23-15)10-13-2-6-20-7-3-13/h1,4-5,8-9,11-13,20H,2-3,6-7,10H2.
What are the key properties of 5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole?
5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 393.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167893824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).