N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C9H12N4OS — CID 65199032

IUPACN-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(-c2csc(C)n2)n1
InChIInChI=1S/C9H12N4OS/c1-6-11-7(5-15-6)9-12-8(13-14-9)3-4-10-2/h5,10H,3-4H2,1-2H3
InChIKeyYKXAGBMTJWGGPK-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.26
Rot. Bonds4

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

N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 65199032) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID65199032
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNCCc1noc(-c2csc(C)n2)n1
InChIInChI=1S/C9H12N4OS/c1-6-11-7(5-15-6)9-12-8(13-14-9)3-4-10-2/h5,10H,3-4H2,1-2H3
InChIKeyYKXAGBMTJWGGPK-UHFFFAOYSA-N
XLogP1.26
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine 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

2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 114269679
N-methyl-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 103121877
1-[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrrolidin-2-one
CID 28872626
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754029
5-(2-methyl-1,3-thiazol-4-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 65198751
2-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62343277
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 65199145
6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 63748662
1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66375198
N-methyl-2-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 65206378

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 65199032) is N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CNCCc1noc(-c2csc(C)n2)n1.
What is the InChIKey of N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is YKXAGBMTJWGGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-6-11-7(5-15-6)9-12-8(13-14-9)3-4-10-2/h5,10H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 224.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 65199032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).