4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine

C23H17Br2N3OS — CID 124529739

IUPAC4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESBrc1ccc(COc2ccc(/C=N\Nc3nc(-c4ccc(Br)cc4)cs3)cc2)cc1
InChIInChI=1S/C23H17Br2N3OS/c24-19-7-1-17(2-8-19)14-29-21-11-3-16(4-12-21)13-26-28-23-27-22(15-30-23)18-5-9-20(25)10-6-18/h1-13,15H,14H2,(H,27,28)/b26-13-
InChIKeyJIWNCZBSGHVUOJ-ZMFRSBBQSA-N
MW543.28 g/mol
LogP7.36
Rot. Bonds7

About 4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 124529739) has the molecular formula C23H17Br2N3OS and a molecular weight of 543.28 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID124529739
Molecular FormulaC23H17Br2N3OS
Molecular Weight543.28 g/mol
Exact Mass540.95
IUPAC Name4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESBrc1ccc(COc2ccc(/C=N\Nc3nc(-c4ccc(Br)cc4)cs3)cc2)cc1
InChIInChI=1S/C23H17Br2N3OS/c24-19-7-1-17(2-8-19)14-29-21-11-3-16(4-12-21)13-26-28-23-27-22(15-30-23)18-5-9-20(25)10-6-18/h1-13,15H,14H2,(H,27,28)/b26-13-
InChIKeyJIWNCZBSGHVUOJ-ZMFRSBBQSA-N
XLogP7.36
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.28
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136869
4-[(Z)-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135788950
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
4-(4-bromophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 22308276
4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 27270491
4-(4-bromophenyl)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 40816768
4-(4-methoxyphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534560
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621
4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
CID 3100458
4-(4-chlorophenyl)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 42336661
3-[[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 168576975
methyl 4-[[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoate
CID 2873135

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 124529739) is 4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine is Brc1ccc(COc2ccc(/C=N\Nc3nc(-c4ccc(Br)cc4)cs3)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is JIWNCZBSGHVUOJ-ZMFRSBBQSA-N. The full InChI is InChI=1S/C23H17Br2N3OS/c24-19-7-1-17(2-8-19)14-29-21-11-3-16(4-12-21)13-26-28-23-27-22(15-30-23)18-5-9-20(25)10-6-18/h1-13,15H,14H2,(H,27,28)/b26-13-.
What are the key properties of 4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 543.28 g/mol, XLogP of 7.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 124529739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).