5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine

C12H14N6O2S — CID 63090088

IUPAC5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1c(N)nnc1SCc1noc(-c2ccco2)n1
InChIInChI=1S/C12H14N6O2S/c1-7(2)18-11(13)15-16-12(18)21-6-9-14-10(20-17-9)8-4-3-5-19-8/h3-5,7H,6H2,1-2H3,(H2,13,15)
InChIKeyXORSPJONLOHTPU-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.38
Rot. Bonds5

About 5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine

5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 63090088) has the molecular formula C12H14N6O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID63090088
Molecular FormulaC12H14N6O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC Name5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1c(N)nnc1SCc1noc(-c2ccco2)n1
InChIInChI=1S/C12H14N6O2S/c1-7(2)18-11(13)15-16-12(18)21-6-9-14-10(20-17-9)8-4-3-5-19-8/h3-5,7H,6H2,1-2H3,(H2,13,15)
InChIKeyXORSPJONLOHTPU-UHFFFAOYSA-N
XLogP2.38
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-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

5-bromo-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43305771
2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-methoxyaniline
CID 79515206
3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 37326798
5-(furan-2-yl)-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 126444004
3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 30794126
3-[(2,5-dichlorophenyl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 30746797
4-methyl-5-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,2,4-triazol-3-amine
CID 61468888
3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 30794127
5-[(2-methylphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 55179525
(1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol
CID 95139630
4-propan-2-yl-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 63089919
3-[[4-cyclopropyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazole
CID 10046353

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine (CID 63090088) is 5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine is CC(C)n1c(N)nnc1SCc1noc(-c2ccco2)n1.
What is the InChIKey of 5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is XORSPJONLOHTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2S/c1-7(2)18-11(13)15-16-12(18)21-6-9-14-10(20-17-9)8-4-3-5-19-8/h3-5,7H,6H2,1-2H3,(H2,13,15).
What are the key properties of 5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 306.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 63090088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).