N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine

C19H18BrN3S — CID 3136093

IUPACN-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCC(=NNc1nc(-c2cc(C)ccc2C)cs1)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3S/c1-12-4-5-13(2)17(10-12)18-11-24-19(21-18)23-22-14(3)15-6-8-16(20)9-7-15/h4-11H,1-3H3,(H,21,23)
InChIKeyDCVYNICZOSDGSB-UHFFFAOYSA-N
MW400.35 g/mol
LogP6.03
Rot. Bonds4

About N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine

N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 3136093) has the molecular formula C19H18BrN3S and a molecular weight of 400.35 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
PubChem CID3136093
Molecular FormulaC19H18BrN3S
Molecular Weight400.35 g/mol
Exact Mass399.04
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCC(=NNc1nc(-c2cc(C)ccc2C)cs1)c1ccc(Br)cc1
InChIInChI=1S/C19H18BrN3S/c1-12-4-5-13(2)17(10-12)18-11-24-19(21-18)23-22-14(3)15-6-8-16(20)9-7-15/h4-11H,1-3H3,(H,21,23)
InChIKeyDCVYNICZOSDGSB-UHFFFAOYSA-N
XLogP6.03
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.35
LogP ≤ 56.03
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-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-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
3-[N-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-C-methylcarbonimidoyl]chromen-2-one
CID 3136095
N-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110533320
5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838910
8-methoxy-3-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 7573717
6-chloro-3-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 15853771
6,8-dibromo-3-[2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 6014883
6,8-dibromo-3-[2-[2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 4120818

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine (CID 3136093) is N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine is CC(=NNc1nc(-c2cc(C)ccc2C)cs1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is DCVYNICZOSDGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3S/c1-12-4-5-13(2)17(10-12)18-11-24-19(21-18)23-22-14(3)15-6-8-16(20)9-7-15/h4-11H,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine?
N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 400.35 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3136093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).