(1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C10H10N6OS — CID 104894738

IUPAC(1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESN[C@@H](Cc1cnc[nH]1)c1nc(-c2cncs2)no1
InChIInChI=1S/C10H10N6OS/c11-7(1-6-2-12-4-14-6)10-15-9(16-17-10)8-3-13-5-18-8/h2-5,7H,1,11H2,(H,12,14)/t7-/m0/s1
InChIKeyVXJRSMCQTNIIJW-ZETCQYMHSA-N
MW262.30 g/mol
LogP1.16
Rot. Bonds4

About (1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine

(1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104894738) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is (1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104894738
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC Name(1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESN[C@@H](Cc1cnc[nH]1)c1nc(-c2cncs2)no1
InChIInChI=1S/C10H10N6OS/c11-7(1-6-2-12-4-14-6)10-15-9(16-17-10)8-3-13-5-18-8/h2-5,7H,1,11H2,(H,12,14)/t7-/m0/s1
InChIKeyVXJRSMCQTNIIJW-ZETCQYMHSA-N
XLogP1.16
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-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

(1R)-1-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894651
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894568
(1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104902160
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 43627406
(1R)-2-(1H-imidazol-5-yl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894573
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 29273811
ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 142606147
(1R)-2-(1H-imidazol-5-yl)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 29282542
(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104982353
(1S)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29038509
4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810172
(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29038512

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104894738) is (1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine is N[C@@H](Cc1cnc[nH]1)c1nc(-c2cncs2)no1.
What is the InChIKey of (1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is VXJRSMCQTNIIJW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10N6OS/c11-7(1-6-2-12-4-14-6)10-15-9(16-17-10)8-3-13-5-18-8/h2-5,7H,1,11H2,(H,12,14)/t7-/m0/s1.
What are the key properties of (1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 262.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104894738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).