2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine

C13H12N4OS — CID 66387317

IUPAC2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1ccc(-c2nnco2)cc1
InChIInChI=1S/C13H12N4OS/c14-11-5-6-19-12(11)7-15-10-3-1-9(2-4-10)13-17-16-8-18-13/h1-6,8,15H,7,14H2
InChIKeyWBEGTRZLCJSVAW-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.99
Rot. Bonds4

About 2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine

2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine (PubChem CID 66387317) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine
PubChem CID66387317
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNc1ccc(-c2nnco2)cc1
InChIInChI=1S/C13H12N4OS/c14-11-5-6-19-12(11)7-15-10-3-1-9(2-4-10)13-17-16-8-18-13/h1-6,8,15H,7,14H2
InChIKeyWBEGTRZLCJSVAW-UHFFFAOYSA-N
XLogP2.99
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine (CID 66387317) is 2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine is Nc1ccsc1CNc1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine?
The InChIKey is WBEGTRZLCJSVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c14-11-5-6-19-12(11)7-15-10-3-1-9(2-4-10)13-17-16-8-18-13/h1-6,8,15H,7,14H2.
What are the key properties of 2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine?
2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine has a molecular weight of 272.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine is sourced from PubChem (CID 66387317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).