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

C12H17N5OS2 — CID 24651802

IUPAC5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESCCCCc1noc(CSc2nnc(NC3CC3)s2)n1
InChIInChI=1S/C12H17N5OS2/c1-2-3-4-9-14-10(18-17-9)7-19-12-16-15-11(20-12)13-8-5-6-8/h8H,2-7H2,1H3,(H,13,15)
InChIKeyMJCXMLGYZARECC-UHFFFAOYSA-N
MW311.44 g/mol
LogP3.13
Rot. Bonds8

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

5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine (PubChem CID 24651802) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
PubChem CID24651802
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC Name5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESCCCCc1noc(CSc2nnc(NC3CC3)s2)n1
InChIInChI=1S/C12H17N5OS2/c1-2-3-4-9-14-10(18-17-9)7-19-12-16-15-11(20-12)13-8-5-6-8/h8H,2-7H2,1H3,(H,13,15)
InChIKeyMJCXMLGYZARECC-UHFFFAOYSA-N
XLogP3.13
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 53.13
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-cyclopropyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine (CID 24651802) is 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine is CCCCc1noc(CSc2nnc(NC3CC3)s2)n1.
What is the InChIKey of 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MJCXMLGYZARECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-2-3-4-9-14-10(18-17-9)7-19-12-16-15-11(20-12)13-8-5-6-8/h8H,2-7H2,1H3,(H,13,15).
What are the key properties of 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine has a molecular weight of 311.44 g/mol, XLogP of 3.13, 8 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-cyclopropyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24651802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).