4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide

C18H17Br2N3S — CID 90484377

IUPAC4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(C)cc1
InChIInChI=1S/C18H16BrN3S.BrH/c1-12-3-5-14(6-4-12)13(2)21-22-18-20-17(11-23-18)15-7-9-16(19)10-8-15;/h3-11H,1-2H3,(H,20,22);1H/b21-13+;
InChIKeyWYHIORLQZONGOM-PGCULMPHSA-N
MW467.23 g/mol
LogP6.30
Rot. Bonds4

About 4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide

4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide (PubChem CID 90484377) has the molecular formula C18H17Br2N3S and a molecular weight of 467.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
PubChem CID90484377
Molecular FormulaC18H17Br2N3S
Molecular Weight467.23 g/mol
Exact Mass464.95
IUPAC Name4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(C)cc1
InChIInChI=1S/C18H16BrN3S.BrH/c1-12-3-5-14(6-4-12)13(2)21-22-18-20-17(11-23-18)15-7-9-16(19)10-8-15;/h3-11H,1-2H3,(H,20,22);1H/b21-13+;
InChIKeyWYHIORLQZONGOM-PGCULMPHSA-N
XLogP6.30
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.23
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484602
4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 3136093
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 23102412
4-(4-methylphenyl)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 17368289
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 6161650
4-[4-(4-bromophenyl)sulfonylphenyl]-N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]-1,3-thiazol-2-amine
CID 170382464
N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136078
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine
CID 3499419
4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540248

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide (CID 90484377) is 4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide is Br.C/C(=N\Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(C)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is WYHIORLQZONGOM-PGCULMPHSA-N. The full InChI is InChI=1S/C18H16BrN3S.BrH/c1-12-3-5-14(6-4-12)13(2)21-22-18-20-17(11-23-18)15-7-9-16(19)10-8-15;/h3-11H,1-2H3,(H,20,22);1H/b21-13+;.
What are the key properties of 4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide?
4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 467.23 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 90484377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).