N-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine

C20H16N4OS — CID 2745608

IUPACN-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1onc(-c2ccccc2)c1-c1csc(NN=Cc2ccccc2)n1
InChIInChI=1S/C20H16N4OS/c1-14-18(19(24-25-14)16-10-6-3-7-11-16)17-13-26-20(22-17)23-21-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,22,23)
InChIKeyYEJJCFSYEVSIAA-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.22
Rot. Bonds5

About N-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine

N-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 2745608) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine
PubChem CID2745608
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1onc(-c2ccccc2)c1-c1csc(NN=Cc2ccccc2)n1
InChIInChI=1S/C20H16N4OS/c1-14-18(19(24-25-14)16-10-6-3-7-11-16)17-13-26-20(22-17)23-21-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,22,23)
InChIKeyYEJJCFSYEVSIAA-UHFFFAOYSA-N
XLogP5.22
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.22
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579343
N-[(E)-benzylideneamino]-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11393768
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-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 7822015
N-[(3-fluoro-5-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577384
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
N-[(3-methylsulfanylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577310
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-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine (CID 2745608) is N-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine is Cc1onc(-c2ccccc2)c1-c1csc(NN=Cc2ccccc2)n1.
What is the InChIKey of N-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is YEJJCFSYEVSIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-14-18(19(24-25-14)16-10-6-3-7-11-16)17-13-26-20(22-17)23-21-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,22,23).
What are the key properties of N-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine?
N-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 360.44 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2745608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).