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

C18H17Br2N3OS — CID 90484602

IUPAC4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccc(/C(C)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C18H16BrN3OS.BrH/c1-12(13-5-9-16(23-2)10-6-13)21-22-18-20-17(11-24-18)14-3-7-15(19)8-4-14;/h3-11H,1-2H3,(H,20,22);1H/b21-12-;
InChIKeyJPDOZLZLMIXLRG-SDKPGJOKSA-N
MW483.23 g/mol
LogP6.00
Rot. Bonds5

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

4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide (PubChem CID 90484602) has the molecular formula C18H17Br2N3OS and a molecular weight of 483.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
PubChem CID90484602
Molecular FormulaC18H17Br2N3OS
Molecular Weight483.23 g/mol
Exact Mass480.95
IUPAC Name4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccc(/C(C)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C18H16BrN3OS.BrH/c1-12(13-5-9-16(23-2)10-6-13)21-22-18-20-17(11-24-18)14-3-7-15(19)8-4-14;/h3-11H,1-2H3,(H,20,22);1H/b21-12-;
InChIKeyJPDOZLZLMIXLRG-SDKPGJOKSA-N
XLogP6.00
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.23
LogP ≤ 56.00
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'}

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Related Compounds

4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484377
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-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
CID 51032949
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 23102412
N-[bis[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4086590
4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136866
4-(4-methylphenyl)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 17368289
[4-[[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3867217
N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 3136093
4-(4-methoxyphenyl)-N-[(Z)-1-phenylpropan-2-ylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 172886714

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide (CID 90484602) is 4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide is Br.COc1ccc(/C(C)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is JPDOZLZLMIXLRG-SDKPGJOKSA-N. The full InChI is InChI=1S/C18H16BrN3OS.BrH/c1-12(13-5-9-16(23-2)10-6-13)21-22-18-20-17(11-24-18)14-3-7-15(19)8-4-14;/h3-11H,1-2H3,(H,20,22);1H/b21-12-;.
What are the key properties of 4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide?
4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 483.23 g/mol, XLogP of 6.00, 5 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)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 90484602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).