2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine

C10H8N4OS — CID 103437072

IUPAC2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(Nc2ccc3sccc3c2)o1
InChIInChI=1S/C10H8N4OS/c11-9-13-14-10(15-9)12-7-1-2-8-6(5-7)3-4-16-8/h1-5H,(H2,11,13)(H,12,14)
InChIKeySOFXDPJILBFYAX-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.61
Rot. Bonds2

About 2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine

2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437072) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437072
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(Nc2ccc3sccc3c2)o1
InChIInChI=1S/C10H8N4OS/c11-9-13-14-10(15-9)12-7-1-2-8-6(5-7)3-4-16-8/h1-5H,(H2,11,13)(H,12,14)
InChIKeySOFXDPJILBFYAX-UHFFFAOYSA-N
XLogP2.61
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103437072) is 2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine is Nc1nnc(Nc2ccc3sccc3c2)o1.
What is the InChIKey of 2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is SOFXDPJILBFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c11-9-13-14-10(15-9)12-7-1-2-8-6(5-7)3-4-16-8/h1-5H,(H2,11,13)(H,12,14).
What are the key properties of 2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 232.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzothiophen-5-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).