4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene)

C26H32N2S — CID 145010814

IUPAC4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.Cc1ccc(-c2ccc(/C=N/c3cscc3N)cc2)cc1
InChIInChI=1S/C18H16N2S.2C4H8/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)10-20-18-12-21-11-17(18)19;2*1-4(2)3/h2-12H,19H2,1H3;2*1H2,2-3H3/b20-10+;;
InChIKeyZIZFCUATXQWKTL-QOFFZXOYSA-N
MW404.62 g/mol
LogP8.22
Rot. Bonds3

About 4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene)

4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene) (PubChem CID 145010814) has the molecular formula C26H32N2S and a molecular weight of 404.62 g/mol. Its IUPAC name is 4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene).

Molecular Properties

Compound Name4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene)
PubChem CID145010814
Molecular FormulaC26H32N2S
Molecular Weight404.62 g/mol
Exact Mass404.23
IUPAC Name4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.Cc1ccc(-c2ccc(/C=N/c3cscc3N)cc2)cc1
InChIInChI=1S/C18H16N2S.2C4H8/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)10-20-18-12-21-11-17(18)19;2*1-4(2)3/h2-12H,19H2,1H3;2*1H2,2-3H3/b20-10+;;
InChIKeyZIZFCUATXQWKTL-QOFFZXOYSA-N
XLogP8.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.62
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene)?
The IUPAC name of 4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene) (CID 145010814) is 4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene).
What is the SMILES notation for 4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene)?
The canonical SMILES for 4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene) is C=C(C)C.C=C(C)C.Cc1ccc(-c2ccc(/C=N/c3cscc3N)cc2)cc1.
What is the InChIKey of 4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene)?
The InChIKey is ZIZFCUATXQWKTL-QOFFZXOYSA-N. The full InChI is InChI=1S/C18H16N2S.2C4H8/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)10-20-18-12-21-11-17(18)19;2*1-4(2)3/h2-12H,19H2,1H3;2*1H2,2-3H3/b20-10+;;.
What are the key properties of 4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene)?
4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene) has a molecular weight of 404.62 g/mol, XLogP of 8.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene) is sourced from PubChem (CID 145010814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).