N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide

C20H19ClN4O2S — CID 9392764

IUPACN-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide
SMILESC/C(=N/NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1c(C)nsc1N
InChIInChI=1S/C20H19ClN4O2S/c1-12(18-13(2)25-28-19(18)22)23-24-20(26)15-5-3-14(4-6-15)11-27-17-9-7-16(21)8-10-17/h3-10H,11,22H2,1-2H3,(H,24,26)/b23-12-
InChIKeyTUWGYZSKQNFEBJ-FMCGGJTJSA-N
MW414.92 g/mol
LogP4.42
Rot. Bonds6

About N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide

N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide (PubChem CID 9392764) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide
PubChem CID9392764
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC NameN-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide
SMILESC/C(=N/NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1c(C)nsc1N
InChIInChI=1S/C20H19ClN4O2S/c1-12(18-13(2)25-28-19(18)22)23-24-20(26)15-5-3-14(4-6-15)11-27-17-9-7-16(21)8-10-17/h3-10H,11,22H2,1-2H3,(H,24,26)/b23-12-
InChIKeyTUWGYZSKQNFEBJ-FMCGGJTJSA-N
XLogP4.42
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 54.42
H-Bond Donors ≤ 52
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-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-ethylbenzamide
CID 9395248
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 9394261
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
(4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 78915343
4-[(4-chlorophenoxy)methyl]-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9408975
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
CID 6027125
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(2,6-dibromo-4-methylphenoxy)methyl]benzamide
CID 3906048
N-[(Z)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-cyanoacetamide
CID 124890840
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N-[(E)-1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]octanamide
CID 91972462
N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4930013
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
CID 135842175

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide?
The IUPAC name of N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide (CID 9392764) is N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide?
The canonical SMILES for N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide is C/C(=N/NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1c(C)nsc1N.
What is the InChIKey of N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide?
The InChIKey is TUWGYZSKQNFEBJ-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-12(18-13(2)25-28-19(18)22)23-24-20(26)15-5-3-14(4-6-15)11-27-17-9-7-16(21)8-10-17/h3-10H,11,22H2,1-2H3,(H,24,26)/b23-12-.
What are the key properties of N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide?
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide has a molecular weight of 414.92 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide is sourced from PubChem (CID 9392764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).