[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine

C12H17N5OS — CID 116807115

IUPAC[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(N2CCCCC2)no1
InChIInChI=1S/C12H17N5OS/c1-8-10(19-9(7-13)14-8)11-15-12(16-18-11)17-5-3-2-4-6-17/h2-7,13H2,1H3
InChIKeyPQFHQBOFVOEJMO-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.95
Rot. Bonds3

About [4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine

[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 116807115) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is [4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID116807115
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(N2CCCCC2)no1
InChIInChI=1S/C12H17N5OS/c1-8-10(19-9(7-13)14-8)11-15-12(16-18-11)17-5-3-2-4-6-17/h2-7,13H2,1H3
InChIKeyPQFHQBOFVOEJMO-UHFFFAOYSA-N
XLogP1.95
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine with MolForge

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Related Compounds

[4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807104
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114916062
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790239
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 116808104
[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 63629547
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
[4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 65401214
[5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine
CID 116807317
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790929
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol
CID 136994389
acetamide;[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151189
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116808037

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine (CID 116807115) is [4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nc(N2CCCCC2)no1.
What is the InChIKey of [4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is PQFHQBOFVOEJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-8-10(19-9(7-13)14-8)11-15-12(16-18-11)17-5-3-2-4-6-17/h2-7,13H2,1H3.
What are the key properties of [4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine?
[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 279.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 116807115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).