5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine

C8H11N5OS — CID 106424923

IUPAC5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1noc(CCNc2cc(N)ns2)n1
InChIInChI=1S/C8H11N5OS/c1-5-11-7(14-12-5)2-3-10-8-4-6(9)13-15-8/h4,10H,2-3H2,1H3,(H2,9,13)
InChIKeyAVXLDWNTBKLYRL-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.07
Rot. Bonds4

About 5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine

5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 106424923) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID106424923
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1noc(CCNc2cc(N)ns2)n1
InChIInChI=1S/C8H11N5OS/c1-5-11-7(14-12-5)2-3-10-8-4-6(9)13-15-8/h4,10H,2-3H2,1H3,(H2,9,13)
InChIKeyAVXLDWNTBKLYRL-UHFFFAOYSA-N
XLogP1.07
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 106424923) is 5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine is Cc1noc(CCNc2cc(N)ns2)n1.
What is the InChIKey of 5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is AVXLDWNTBKLYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-5-11-7(14-12-5)2-3-10-8-4-6(9)13-15-8/h4,10H,2-3H2,1H3,(H2,9,13).
What are the key properties of 5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 225.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106424923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).