2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

C10H12ClN3OS — CID 62275958

IUPAC2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C10H12ClN3OS/c1-2-12-6-5-9-13-14-10(15-9)7-3-4-8(11)16-7/h3-4,12H,2,5-6H2,1H3
InChIKeyKXIBPGLNFUFYNK-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.60
Rot. Bonds5

About 2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (PubChem CID 62275958) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
PubChem CID62275958
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C10H12ClN3OS/c1-2-12-6-5-9-13-14-10(15-9)7-3-4-8(11)16-7/h3-4,12H,2,5-6H2,1H3
InChIKeyKXIBPGLNFUFYNK-UHFFFAOYSA-N
XLogP2.60
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (CID 62275958) is 2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is CCNCCc1nnc(-c2ccc(Cl)s2)o1.
What is the InChIKey of 2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The InChIKey is KXIBPGLNFUFYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-2-12-6-5-9-13-14-10(15-9)7-3-4-8(11)16-7/h3-4,12H,2,5-6H2,1H3.
What are the key properties of 2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine has a molecular weight of 257.75 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 62275958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).