N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine

C23H27N3O2S — CID 27438623

IUPACN-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc1OCC
InChIInChI=1S/C23H27N3O2S/c1-4-6-13-28-21-12-9-18(14-22(21)27-5-2)15-24-26-23-25-20(16-29-23)19-10-7-17(3)8-11-19/h7-12,14-16H,4-6,13H2,1-3H3,(H,25,26)/b24-15-
InChIKeyZPJNDAMSBOKJSY-IWIPYMOSSA-N
MW409.56 g/mol
LogP6.14
Rot. Bonds10

About N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine

N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 27438623) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID27438623
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc1OCC
InChIInChI=1S/C23H27N3O2S/c1-4-6-13-28-21-12-9-18(14-22(21)27-5-2)15-24-26-23-25-20(16-29-23)19-10-7-17(3)8-11-19/h7-12,14-16H,4-6,13H2,1-3H3,(H,25,26)/b24-15-
InChIKeyZPJNDAMSBOKJSY-IWIPYMOSSA-N
XLogP6.14
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110529905
N-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110531470
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579187
N-[(4-ethoxy-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577238
4-(3,4-dimethylphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110532766
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 27277479
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576876
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621
4-[(E)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol
CID 135473241
2-ethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845141
N-[(Z)-(3-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533642
N-[[4-(3-bromopropoxy)-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578617

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 27438623) is N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine is CCCCOc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc1OCC.
What is the InChIKey of N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is ZPJNDAMSBOKJSY-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-4-6-13-28-21-12-9-18(14-22(21)27-5-2)15-24-26-23-25-20(16-29-23)19-10-7-17(3)8-11-19/h7-12,14-16H,4-6,13H2,1-3H3,(H,25,26)/b24-15-.
What are the key properties of N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 409.56 g/mol, XLogP of 6.14, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 27438623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).