4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine

C9H15N3OS — CID 61339130

IUPAC4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
SMILESCCc1nc(C2(N)CCSCC2)no1
InChIInChI=1S/C9H15N3OS/c1-2-7-11-8(12-13-7)9(10)3-5-14-6-4-9/h2-6,10H2,1H3
InChIKeyQZERPAGEJDYYDA-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.31
Rot. Bonds2

About 4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine

4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine (PubChem CID 61339130) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine.

Molecular Properties

Compound Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
PubChem CID61339130
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
SMILESCCc1nc(C2(N)CCSCC2)no1
InChIInChI=1S/C9H15N3OS/c1-2-7-11-8(12-13-7)9(10)3-5-14-6-4-9/h2-6,10H2,1H3
InChIKeyQZERPAGEJDYYDA-UHFFFAOYSA-N
XLogP1.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine?
The IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine (CID 61339130) is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine.
What is the SMILES notation for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine?
The canonical SMILES for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine is CCc1nc(C2(N)CCSCC2)no1.
What is the InChIKey of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine?
The InChIKey is QZERPAGEJDYYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-7-11-8(12-13-7)9(10)3-5-14-6-4-9/h2-6,10H2,1H3.
What are the key properties of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine?
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine has a molecular weight of 213.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine is sourced from PubChem (CID 61339130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).