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

C11H19N3OS — CID 56708045

IUPACN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine
SMILESCCc1noc(C(C)NC2CCSCC2)n1
InChIInChI=1S/C11H19N3OS/c1-3-10-13-11(15-14-10)8(2)12-9-4-6-16-7-5-9/h8-9,12H,3-7H2,1-2H3
InChIKeyGTHZQANKJDBTDV-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.18
Rot. Bonds4

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

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine (PubChem CID 56708045) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine
PubChem CID56708045
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine
SMILESCCc1noc(C(C)NC2CCSCC2)n1
InChIInChI=1S/C11H19N3OS/c1-3-10-13-11(15-14-10)8(2)12-9-4-6-16-7-5-9/h8-9,12H,3-7H2,1-2H3
InChIKeyGTHZQANKJDBTDV-UHFFFAOYSA-N
XLogP2.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine?
The IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine (CID 56708045) is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine.
What is the SMILES notation for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine?
The canonical SMILES for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine is CCc1noc(C(C)NC2CCSCC2)n1.
What is the InChIKey of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine?
The InChIKey is GTHZQANKJDBTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-10-13-11(15-14-10)8(2)12-9-4-6-16-7-5-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine?
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine has a molecular weight of 241.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]thian-4-amine is sourced from PubChem (CID 56708045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).