N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine

C19H19N3OS — CID 3136866

IUPACN-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(C(C)=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C19H19N3OS/c1-3-23-17-11-9-15(10-12-17)14(2)21-22-19-20-18(13-24-19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,20,22)
InChIKeyAOEXOCBRANAYKM-UHFFFAOYSA-N
MW337.45 g/mol
LogP5.04
Rot. Bonds6

About N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 3136866) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID3136866
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(C(C)=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C19H19N3OS/c1-3-23-17-11-9-15(10-12-17)14(2)21-22-19-20-18(13-24-19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,20,22)
InChIKeyAOEXOCBRANAYKM-UHFFFAOYSA-N
XLogP5.04
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.45
LogP ≤ 55.04
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

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-ethoxyphenyl)ethylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 91823777
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-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540248
4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
CID 90665494
4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484602
ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
CID 13157648
N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136078
4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 78614568

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 3136866) is N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine is CCOc1ccc(C(C)=NNc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is AOEXOCBRANAYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-3-23-17-11-9-15(10-12-17)14(2)21-22-19-20-18(13-24-19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 337.45 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3136866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).