5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

C10H15N5OS2 — CID 24651835

IUPAC5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCCCc1noc(CSc2nnc(NC)s2)n1
InChIInChI=1S/C10H15N5OS2/c1-3-4-5-7-12-8(16-15-7)6-17-10-14-13-9(11-2)18-10/h3-6H2,1-2H3,(H,11,13)
InChIKeyBDVGOGFZIBIXSW-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.60
Rot. Bonds7

About 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 24651835) has the molecular formula C10H15N5OS2 and a molecular weight of 285.40 g/mol. Its IUPAC name is 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID24651835
Molecular FormulaC10H15N5OS2
Molecular Weight285.40 g/mol
Exact Mass285.07
IUPAC Name5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCCCc1noc(CSc2nnc(NC)s2)n1
InChIInChI=1S/C10H15N5OS2/c1-3-4-5-7-12-8(16-15-7)6-17-10-14-13-9(11-2)18-10/h3-6H2,1-2H3,(H,11,13)
InChIKeyBDVGOGFZIBIXSW-UHFFFAOYSA-N
XLogP2.60
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 24651835) is 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is CCCCc1noc(CSc2nnc(NC)s2)n1.
What is the InChIKey of 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BDVGOGFZIBIXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS2/c1-3-4-5-7-12-8(16-15-7)6-17-10-14-13-9(11-2)18-10/h3-6H2,1-2H3,(H,11,13).
What are the key properties of 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 285.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24651835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).