4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine

C7H9N5O2S — CID 106412716

IUPAC4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCc1ncon1
InChIInChI=1S/C7H9N5O2S/c1-13-5-6(8)12-15-7(5)9-2-4-10-3-14-11-4/h3,9H,2H2,1H3,(H2,8,12)
InChIKeyOPHOLNXOBSDPEO-UHFFFAOYSA-N
MW227.25 g/mol
LogP0.73
Rot. Bonds4

About 4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine

4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 106412716) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID106412716
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC Name4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCc1ncon1
InChIInChI=1S/C7H9N5O2S/c1-13-5-6(8)12-15-7(5)9-2-4-10-3-14-11-4/h3,9H,2H2,1H3,(H2,8,12)
InChIKeyOPHOLNXOBSDPEO-UHFFFAOYSA-N
XLogP0.73
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-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

Related Compounds

3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 106412732
4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380667
4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412715
5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 106901116
4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103383188
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
3-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazine-2,3-diamine
CID 106411526
dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate
CID 106412893
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 114140206
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641
4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103380162
4-methoxy-5-N-(2-thiophen-2-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382595

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine (CID 106412716) is 4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NCc1ncon1.
What is the InChIKey of 4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is OPHOLNXOBSDPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c1-13-5-6(8)12-15-7(5)9-2-4-10-3-14-11-4/h3,9H,2H2,1H3,(H2,8,12).
What are the key properties of 4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 227.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106412716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).