N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

C13H14N4OS — CID 106961822

IUPACN-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2ccc3sccc3c2)o1
InChIInChI=1S/C13H14N4OS/c1-2-14-8-12-16-17-13(18-12)15-10-3-4-11-9(7-10)5-6-19-11/h3-7,14H,2,8H2,1H3,(H,15,17)
InChIKeyVHRAYCXLUTWPJN-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.14
Rot. Bonds5

About N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106961822) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106961822
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2ccc3sccc3c2)o1
InChIInChI=1S/C13H14N4OS/c1-2-14-8-12-16-17-13(18-12)15-10-3-4-11-9(7-10)5-6-19-11/h3-7,14H,2,8H2,1H3,(H,15,17)
InChIKeyVHRAYCXLUTWPJN-UHFFFAOYSA-N
XLogP3.14
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106961822) is N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(Nc2ccc3sccc3c2)o1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VHRAYCXLUTWPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-2-14-8-12-16-17-13(18-12)15-10-3-4-11-9(7-10)5-6-19-11/h3-7,14H,2,8H2,1H3,(H,15,17).
What are the key properties of N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 274.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).