5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine

C12H12N6OS2 — CID 16583200

IUPAC5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCCCc2nc(-c3ccncc3)no2)s1
InChIInChI=1S/C12H12N6OS2/c13-11-16-17-12(21-11)20-7-1-2-9-15-10(18-19-9)8-3-5-14-6-4-8/h3-6H,1-2,7H2,(H2,13,16)
InChIKeyURDOWZSHUCAZHG-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.29
Rot. Bonds6

About 5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 16583200) has the molecular formula C12H12N6OS2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID16583200
Molecular FormulaC12H12N6OS2
Molecular Weight320.40 g/mol
Exact Mass320.05
IUPAC Name5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCCCc2nc(-c3ccncc3)no2)s1
InChIInChI=1S/C12H12N6OS2/c13-11-16-17-12(21-11)20-7-1-2-9-15-10(18-19-9)8-3-5-14-6-4-8/h3-6H,1-2,7H2,(H2,13,16)
InChIKeyURDOWZSHUCAZHG-UHFFFAOYSA-N
XLogP2.29
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-(3-naphthalen-2-ylsulfanylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 16583186
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 124756756
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 91828742
5-[3-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 16625017
3-pyridin-4-yl-5-(3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropyl)-1,2,4-oxadiazole
CID 16583265
5-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 16583197
5-[3-[(2-methylphenyl)methylsulfanyl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 78851641
5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 6494481
5-[3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 16583139
N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24562899
5-[3-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 16583321
5-[3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 16583304

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 16583200) is 5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCCCc2nc(-c3ccncc3)no2)s1.
What is the InChIKey of 5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is URDOWZSHUCAZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS2/c13-11-16-17-12(21-11)20-7-1-2-9-15-10(18-19-9)8-3-5-14-6-4-8/h3-6H,1-2,7H2,(H2,13,16).
What are the key properties of 5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 320.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 16583200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).