3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine

C10H14N4OS2 — CID 79391024

IUPAC3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
SMILESCCCSCc1noc(-c2c(C)nsc2N)n1
InChIInChI=1S/C10H14N4OS2/c1-3-4-16-5-7-12-10(15-13-7)8-6(2)14-17-9(8)11/h3-5,11H2,1-2H3
InChIKeyZJFDFDYHONVZED-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.73
Rot. Bonds5

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

3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine (PubChem CID 79391024) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
PubChem CID79391024
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC Name3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
SMILESCCCSCc1noc(-c2c(C)nsc2N)n1
InChIInChI=1S/C10H14N4OS2/c1-3-4-16-5-7-12-10(15-13-7)8-6(2)14-17-9(8)11/h3-5,11H2,1-2H3
InChIKeyZJFDFDYHONVZED-UHFFFAOYSA-N
XLogP2.73
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 115345374
4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79398311
4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79398209
1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 65130218
3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
CID 79390914
N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
CID 79391131
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,5-difluoroaniline
CID 114217301
ethyl 3-(propylsulfanylmethyl)-1,2,4-oxadiazole-5-carboxylate
CID 65129690
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79391770
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 116742002
1-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65130101
(1R)-3-methylsulfanyl-1-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909461

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine (CID 79391024) is 3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine is CCCSCc1noc(-c2c(C)nsc2N)n1.
What is the InChIKey of 3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
The InChIKey is ZJFDFDYHONVZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c1-3-4-16-5-7-12-10(15-13-7)8-6(2)14-17-9(8)11/h3-5,11H2,1-2H3.
What are the key properties of 3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine has a molecular weight of 270.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 79391024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).