1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine

C17H19N5OS — CID 86783007

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
SMILESCc1csc(N2CCC(Nc3cccc(-c4nnco4)c3)CC2)n1
InChIInChI=1S/C17H19N5OS/c1-12-10-24-17(19-12)22-7-5-14(6-8-22)20-15-4-2-3-13(9-15)16-21-18-11-23-16/h2-4,9-11,14,20H,5-8H2,1H3
InChIKeyVZLANHIZKDLCAZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.58
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine

1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine (PubChem CID 86783007) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
PubChem CID86783007
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
SMILESCc1csc(N2CCC(Nc3cccc(-c4nnco4)c3)CC2)n1
InChIInChI=1S/C17H19N5OS/c1-12-10-24-17(19-12)22-7-5-14(6-8-22)20-15-4-2-3-13(9-15)16-21-18-11-23-16/h2-4,9-11,14,20H,5-8H2,1H3
InChIKeyVZLANHIZKDLCAZ-UHFFFAOYSA-N
XLogP3.58
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine with MolForge

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Related Compounds

1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone
CID 43770533
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thian-4-amine
CID 43511357
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]oxepan-4-amine
CID 65076562
N-(2-methylcyclohexyl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206430
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43670240
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 115300939
1-ethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine
CID 28713194
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
2-[4-(bromomethyl)piperidin-1-yl]-4-methyl-1,3-thiazole
CID 80668941
1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde
CID 62663442
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
N-[(4-bromothiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28972991

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine (CID 86783007) is 1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine is Cc1csc(N2CCC(Nc3cccc(-c4nnco4)c3)CC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine?
The InChIKey is VZLANHIZKDLCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-10-24-17(19-12)22-7-5-14(6-8-22)20-15-4-2-3-13(9-15)16-21-18-11-23-16/h2-4,9-11,14,20H,5-8H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine?
1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine has a molecular weight of 341.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 86783007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).