N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine

C19H14BrClN6S — CID 66572886

IUPACN-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C(/Cn3cncn3)c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C19H14BrClN6S/c20-15-5-1-13(2-6-15)17(9-27-12-22-11-23-27)25-26-19-24-18(10-28-19)14-3-7-16(21)8-4-14/h1-8,10-12H,9H2,(H,24,26)/b25-17-
InChIKeyDMOAZMLHQDVKCZ-UQQQWYQISA-N
MW473.79 g/mol
LogP5.33
Rot. Bonds6

About N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine

N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 66572886) has the molecular formula C19H14BrClN6S and a molecular weight of 473.79 g/mol. Its IUPAC name is N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID66572886
Molecular FormulaC19H14BrClN6S
Molecular Weight473.79 g/mol
Exact Mass471.99
IUPAC NameN-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C(/Cn3cncn3)c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C19H14BrClN6S/c20-15-5-1-13(2-6-15)17(9-27-12-22-11-23-27)25-26-19-24-18(10-28-19)14-3-7-16(21)8-4-14/h1-8,10-12H,9H2,(H,24,26)/b25-17-
InChIKeyDMOAZMLHQDVKCZ-UQQQWYQISA-N
XLogP5.33
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.79
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine (CID 66572886) is N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(N/N=C(/Cn3cncn3)c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is DMOAZMLHQDVKCZ-UQQQWYQISA-N. The full InChI is InChI=1S/C19H14BrClN6S/c20-15-5-1-13(2-6-15)17(9-27-12-22-11-23-27)25-26-19-24-18(10-28-19)14-3-7-16(21)8-4-14/h1-8,10-12H,9H2,(H,24,26)/b25-17-.
What are the key properties of N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 473.79 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 66572886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).