4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine

C19H21N3S — CID 697289

IUPAC4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C19H21N3S/c1-3-22(4-2)17-12-10-16(11-13-17)20-19-21-18(14-23-19)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,20,21)
InChIKeyANTDPYRQYDVLLI-UHFFFAOYSA-N
MW323.47 g/mol
LogP5.40
Rot. Bonds6

About 4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine (PubChem CID 697289) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine
PubChem CID697289
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C19H21N3S/c1-3-22(4-2)17-12-10-16(11-13-17)20-19-21-18(14-23-19)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,20,21)
InChIKeyANTDPYRQYDVLLI-UHFFFAOYSA-N
XLogP5.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine (CID 697289) is 4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine is CCN(CC)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The InChIKey is ANTDPYRQYDVLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-3-22(4-2)17-12-10-16(11-13-17)20-19-21-18(14-23-19)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine has a molecular weight of 323.47 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 697289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).