N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

C18H14BrN3OS — CID 8881360

IUPACN-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)cs1)N/N=C\c1ccccc1Br
InChIInChI=1S/C18H14BrN3OS/c19-15-9-5-4-8-14(15)11-20-22-17(23)10-18-21-16(12-24-18)13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,22,23)/b20-11-
InChIKeyXNEFLUOHBAJPKN-JAIQZWGSSA-N
MW400.30 g/mol
LogP4.27
Rot. Bonds5

About N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 8881360) has the molecular formula C18H14BrN3OS and a molecular weight of 400.30 g/mol. Its IUPAC name is N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID8881360
Molecular FormulaC18H14BrN3OS
Molecular Weight400.30 g/mol
Exact Mass399.00
IUPAC NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1nc(-c2ccccc2)cs1)N/N=C\c1ccccc1Br
InChIInChI=1S/C18H14BrN3OS/c19-15-9-5-4-8-14(15)11-20-22-17(23)10-18-21-16(12-24-18)13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,22,23)/b20-11-
InChIKeyXNEFLUOHBAJPKN-JAIQZWGSSA-N
XLogP4.27
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767838
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881280
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8880953
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881635
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881889
N-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881712
2-(4-phenyl-1,3-thiazol-2-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 8881051
N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 5414432
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 2213605
N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881024
N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506449
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 8881360) is N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(Cc1nc(-c2ccccc2)cs1)N/N=C\c1ccccc1Br.
What is the InChIKey of N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XNEFLUOHBAJPKN-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H14BrN3OS/c19-15-9-5-4-8-14(15)11-20-22-17(23)10-18-21-16(12-24-18)13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,22,23)/b20-11-.
What are the key properties of N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 400.30 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 8881360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).