N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C19H15N5S — CID 86580247

IUPACN-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESC(=N/Nc1nc(-c2ccccc2)cs1)\c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H15N5S/c1-2-4-16(5-3-1)18-13-25-19(22-18)23-21-12-15-6-8-17(9-7-15)24-11-10-20-14-24/h1-14H,(H,22,23)/b21-12+
InChIKeyFGMXRNKADDMQQZ-CIAFOILYSA-N
MW345.43 g/mol
LogP4.44
Rot. Bonds5

About N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 86580247) has the molecular formula C19H15N5S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID86580247
Molecular FormulaC19H15N5S
Molecular Weight345.43 g/mol
Exact Mass345.10
IUPAC NameN-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESC(=N/Nc1nc(-c2ccccc2)cs1)\c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H15N5S/c1-2-4-16(5-3-1)18-13-25-19(22-18)23-21-12-15-6-8-17(9-7-15)24-11-10-20-14-24/h1-14H,(H,22,23)/b21-12+
InChIKeyFGMXRNKADDMQQZ-CIAFOILYSA-N
XLogP4.44
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168577812
N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577947
4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577322
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
N-[(3-methylbenzimidazol-5-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579299
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 7822015
4-phenyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 27273511

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 86580247) is N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is C(=N/Nc1nc(-c2ccccc2)cs1)\c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is FGMXRNKADDMQQZ-CIAFOILYSA-N. The full InChI is InChI=1S/C19H15N5S/c1-2-4-16(5-3-1)18-13-25-19(22-18)23-21-12-15-6-8-17(9-7-15)24-11-10-20-14-24/h1-14H,(H,22,23)/b21-12+.
What are the key properties of N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 345.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 86580247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).