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

C19H14BrClN6S — CID 11260020

IUPAC4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine
SMILESClc1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C19H14BrClN6S/c20-15-5-1-14(2-6-15)18-10-28-19(24-18)26-25-17(9-27-12-22-11-23-27)13-3-7-16(21)8-4-13/h1-8,10-12H,9H2,(H,24,26)/b25-17-
InChIKeyUOCURHMBWLKHGX-UQQQWYQISA-N
MW473.79 g/mol
LogP5.33
Rot. Bonds6

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

4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine (PubChem CID 11260020) has the molecular formula C19H14BrClN6S and a molecular weight of 473.79 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine
PubChem CID11260020
Molecular FormulaC19H14BrClN6S
Molecular Weight473.79 g/mol
Exact Mass471.99
IUPAC Name4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine
SMILESClc1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C19H14BrClN6S/c20-15-5-1-14(2-6-15)18-10-28-19(24-18)26-25-17(9-27-12-22-11-23-27)13-3-7-16(21)8-4-13/h1-8,10-12H,9H2,(H,24,26)/b25-17-
InChIKeyUOCURHMBWLKHGX-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'}

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Related Compounds

2-[5-(4-Bromophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 46936085
1H-Pyrazol-5-amine, 1-(4-(4-bromophenyl)-2-thiazolyl)-3-(4-chlorophenyl)-
CID 1498367
4-(4-Bromophenyl)-2-[5-(4-chlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 12982063
4-(4-chlorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methyleneamino]thiazol-2-amine
CID 86580306
4-(2,4-dichlorophenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methyleneamino]thiazol-2-amine
CID 86580308
4-(4-chlorophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]thiazol-2-amine
CID 11177865
N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-nitrophenyl)thiazol-2-amine
CID 66572762
N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-fluorophenyl)thiazol-2-amine
CID 66572885
N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-chlorophenyl)thiazol-2-amine
CID 66572886
N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 66572888
4-(4-chlorophenyl)-N-[(E)-[1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine
CID 66572990
2-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole
CID 46936131

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine (CID 11260020) is 4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine is Clc1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine?
The InChIKey is UOCURHMBWLKHGX-UQQQWYQISA-N. The full InChI is InChI=1S/C19H14BrClN6S/c20-15-5-1-14(2-6-15)18-10-28-19(24-18)26-25-17(9-27-12-22-11-23-27)13-3-7-16(21)8-4-13/h1-8,10-12H,9H2,(H,24,26)/b25-17-.
What are the key properties of 4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-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 4-(4-bromophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine is sourced from PubChem (CID 11260020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).