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

C11H15N5OS — CID 116807104

IUPAC[4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2nc(N3CCCCC3)no2)cs1
InChIInChI=1S/C11H15N5OS/c12-6-9-13-8(7-18-9)10-14-11(15-17-10)16-4-2-1-3-5-16/h7H,1-6,12H2
InChIKeyTUTTXJWFPPSUGG-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.64
Rot. Bonds3

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

[4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 116807104) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is [4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID116807104
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name[4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2nc(N3CCCCC3)no2)cs1
InChIInChI=1S/C11H15N5OS/c12-6-9-13-8(7-18-9)10-14-11(15-17-10)16-4-2-1-3-5-16/h7H,1-6,12H2
InChIKeyTUTTXJWFPPSUGG-UHFFFAOYSA-N
XLogP1.64
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116808037
[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807115
1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116807673
[5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine
CID 116807317
[4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 119948450
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116808091
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114916062
[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 66380521
[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66381486
[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66380528
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol
CID 136994389

Frequently Asked Questions

What is the IUPAC name of [4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine (CID 116807104) is [4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2nc(N3CCCCC3)no2)cs1.
What is the InChIKey of [4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is TUTTXJWFPPSUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c12-6-9-13-8(7-18-9)10-14-11(15-17-10)16-4-2-1-3-5-16/h7H,1-6,12H2.
What are the key properties of [4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine?
[4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 265.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 116807104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).