(1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine

C11H15N5OS — CID 113279657

IUPAC(1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1cc(C(N)c2nc(C3CCCS3)no2)cn1
InChIInChI=1S/C11H15N5OS/c1-16-6-7(5-13-16)9(12)11-14-10(15-17-11)8-3-2-4-18-8/h5-6,8-9H,2-4,12H2,1H3
InChIKeySTFHJMHWTKLCMK-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.42
Rot. Bonds3

About (1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine

(1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 113279657) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID113279657
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name(1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1cc(C(N)c2nc(C3CCCS3)no2)cn1
InChIInChI=1S/C11H15N5OS/c1-16-6-7(5-13-16)9(12)11-14-10(15-17-11)8-3-2-4-18-8/h5-6,8-9H,2-4,12H2,1H3
InChIKeySTFHJMHWTKLCMK-UHFFFAOYSA-N
XLogP1.42
TPSA82.76 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-chloroethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620869
[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 112754191
2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80620615
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 116808077
(1S)-1-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 80637584
2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80620093
N-methyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80620076
2-methyl-1-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80620091
(1-methylpyrazol-4-yl)-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 113279655
[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288850
[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 116704110
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 80620897

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of (1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 113279657) is (1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for (1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine is Cn1cc(C(N)c2nc(C3CCCS3)no2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is STFHJMHWTKLCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-16-6-7(5-13-16)9(12)11-14-10(15-17-11)8-3-2-4-18-8/h5-6,8-9H,2-4,12H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
(1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 265.34 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 113279657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).