2,5-diphenylthiophene-3,4-diamine

C16H14N2S — CID 118389679

IUPAC2,5-diphenylthiophene-3,4-diamine
SMILESNc1c(-c2ccccc2)sc(-c2ccccc2)c1N
InChIInChI=1S/C16H14N2S/c17-13-14(18)16(12-9-5-2-6-10-12)19-15(13)11-7-3-1-4-8-11/h1-10H,17-18H2
InChIKeyHZDXSLSFRHXJQU-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.25
Rot. Bonds2

About 2,5-diphenylthiophene-3,4-diamine

2,5-diphenylthiophene-3,4-diamine (PubChem CID 118389679) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2,5-diphenylthiophene-3,4-diamine.

Molecular Properties

Compound Name2,5-diphenylthiophene-3,4-diamine
PubChem CID118389679
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2,5-diphenylthiophene-3,4-diamine
SMILESNc1c(-c2ccccc2)sc(-c2ccccc2)c1N
InChIInChI=1S/C16H14N2S/c17-13-14(18)16(12-9-5-2-6-10-12)19-15(13)11-7-3-1-4-8-11/h1-10H,17-18H2
InChIKeyHZDXSLSFRHXJQU-UHFFFAOYSA-N
XLogP4.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenylthiophene-3,4-diamine?
The IUPAC name of 2,5-diphenylthiophene-3,4-diamine (CID 118389679) is 2,5-diphenylthiophene-3,4-diamine.
What is the SMILES notation for 2,5-diphenylthiophene-3,4-diamine?
The canonical SMILES for 2,5-diphenylthiophene-3,4-diamine is Nc1c(-c2ccccc2)sc(-c2ccccc2)c1N.
What is the InChIKey of 2,5-diphenylthiophene-3,4-diamine?
The InChIKey is HZDXSLSFRHXJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c17-13-14(18)16(12-9-5-2-6-10-12)19-15(13)11-7-3-1-4-8-11/h1-10H,17-18H2.
What are the key properties of 2,5-diphenylthiophene-3,4-diamine?
2,5-diphenylthiophene-3,4-diamine has a molecular weight of 266.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenylthiophene-3,4-diamine is sourced from PubChem (CID 118389679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).