1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

C19H23N7O2S — CID 91950660

IUPAC1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)NCc3nccs3)CC2)n1
InChIInChI=1S/C19H23N7O2S/c1-3-15-24-19(28-25-15)14-10-21-12(2)23-17(14)26-7-4-13(5-8-26)18(27)22-11-16-20-6-9-29-16/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,22,27)
InChIKeyYMRYNOOAWZBUTH-UHFFFAOYSA-N
MW413.51 g/mol
LogP2.39
Rot. Bonds6

About 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 91950660) has the molecular formula C19H23N7O2S and a molecular weight of 413.51 g/mol. Its IUPAC name is 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID91950660
Molecular FormulaC19H23N7O2S
Molecular Weight413.51 g/mol
Exact Mass413.16
IUPAC Name1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESCCc1noc(-c2cnc(C)nc2N2CCC(C(=O)NCc3nccs3)CC2)n1
InChIInChI=1S/C19H23N7O2S/c1-3-15-24-19(28-25-15)14-10-21-12(2)23-17(14)26-7-4-13(5-8-26)18(27)22-11-16-20-6-9-29-16/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,22,27)
InChIKeyYMRYNOOAWZBUTH-UHFFFAOYSA-N
XLogP2.39
TPSA109.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (CID 91950660) is 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is CCc1noc(-c2cnc(C)nc2N2CCC(C(=O)NCc3nccs3)CC2)n1.
What is the InChIKey of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YMRYNOOAWZBUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S/c1-3-15-24-19(28-25-15)14-10-21-12(2)23-17(14)26-7-4-13(5-8-26)18(27)22-11-16-20-6-9-29-16/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,22,27).
What are the key properties of 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 413.51 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 91950660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).