1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine

C16H16N2S2 — CID 726437

IUPAC1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine
SMILESc1csc(CNc2ccc(NCc3cccs3)cc2)c1
InChIInChI=1S/C16H16N2S2/c1-3-15(19-9-1)11-17-13-5-7-14(8-6-13)18-12-16-4-2-10-20-16/h1-10,17-18H,11-12H2
InChIKeySKVPLQJGCJHPGZ-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.03
Rot. Bonds6

About 1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine

1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine (PubChem CID 726437) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine
PubChem CID726437
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC Name1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine
SMILESc1csc(CNc2ccc(NCc3cccs3)cc2)c1
InChIInChI=1S/C16H16N2S2/c1-3-15(19-9-1)11-17-13-5-7-14(8-6-13)18-12-16-4-2-10-20-16/h1-10,17-18H,11-12H2
InChIKeySKVPLQJGCJHPGZ-UHFFFAOYSA-N
XLogP5.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine (CID 726437) is 1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine is c1csc(CNc2ccc(NCc3cccs3)cc2)c1.
What is the InChIKey of 1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is SKVPLQJGCJHPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-3-15(19-9-1)11-17-13-5-7-14(8-6-13)18-12-16-4-2-10-20-16/h1-10,17-18H,11-12H2.
What are the key properties of 1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine?
1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 300.45 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(thiophen-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 726437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).