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

C20H24N8O2S — CID 91950743

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide
SMILESCCc1noc(-c2cnc(C)nc2N2CCCC(C(=O)Nc3nnc(C4CC4)s3)C2)n1
InChIInChI=1S/C20H24N8O2S/c1-3-15-23-18(30-27-15)14-9-21-11(2)22-16(14)28-8-4-5-13(10-28)17(29)24-20-26-25-19(31-20)12-6-7-12/h9,12-13H,3-8,10H2,1-2H3,(H,24,26,29)
InChIKeySBPZMYYZKUXIAH-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.98
Rot. Bonds6

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 91950743) has the molecular formula C20H24N8O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID91950743
Molecular FormulaC20H24N8O2S
Molecular Weight440.53 g/mol
Exact Mass440.17
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide
SMILESCCc1noc(-c2cnc(C)nc2N2CCCC(C(=O)Nc3nnc(C4CC4)s3)C2)n1
InChIInChI=1S/C20H24N8O2S/c1-3-15-23-18(30-27-15)14-9-21-11(2)22-16(14)28-8-4-5-13(10-28)17(29)24-20-26-25-19(31-20)12-6-7-12/h9,12-13H,3-8,10H2,1-2H3,(H,24,26,29)
InChIKeySBPZMYYZKUXIAH-UHFFFAOYSA-N
XLogP2.98
TPSA122.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide (CID 91950743) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide is CCc1noc(-c2cnc(C)nc2N2CCCC(C(=O)Nc3nnc(C4CC4)s3)C2)n1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is SBPZMYYZKUXIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2S/c1-3-15-23-18(30-27-15)14-9-21-11(2)22-16(14)28-8-4-5-13(10-28)17(29)24-20-26-25-19(31-20)12-6-7-12/h9,12-13H,3-8,10H2,1-2H3,(H,24,26,29).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 91950743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).