N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

C21H21N3O2S — CID 135767867

IUPACN-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC/C(=N\NC(=O)Cc1nc(-c2ccccc2)cs1)c1cc(C)ccc1O
InChIInChI=1S/C21H21N3O2S/c1-3-17(16-11-14(2)9-10-19(16)25)23-24-20(26)12-21-22-18(13-27-21)15-7-5-4-6-8-15/h4-11,13,25H,3,12H2,1-2H3,(H,24,26)/b23-17+
InChIKeyRCIGSKMBMCOUDX-HAVVHWLPSA-N
MW379.49 g/mol
LogP4.30
Rot. Bonds6

About N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 135767867) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID135767867
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC/C(=N\NC(=O)Cc1nc(-c2ccccc2)cs1)c1cc(C)ccc1O
InChIInChI=1S/C21H21N3O2S/c1-3-17(16-11-14(2)9-10-19(16)25)23-24-20(26)12-21-22-18(13-27-21)15-7-5-4-6-8-15/h4-11,13,25H,3,12H2,1-2H3,(H,24,26)/b23-17+
InChIKeyRCIGSKMBMCOUDX-HAVVHWLPSA-N
XLogP4.30
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881024
2-(4-phenyl-1,3-thiazol-2-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 8881051
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881280
N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-6-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135907322
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881374
2-(benzenesulfonamido)-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]acetamide
CID 135557531
4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
CID 55842691
2-[(E)-N-(1,3-benzothiazol-2-ylamino)-C-ethylcarbonimidoyl]-4-methylphenol
CID 135673260
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767838
N-[(E)-[(3S)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767888
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881635
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-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 135767867) is N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is CC/C(=N\NC(=O)Cc1nc(-c2ccccc2)cs1)c1cc(C)ccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is RCIGSKMBMCOUDX-HAVVHWLPSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-3-17(16-11-14(2)9-10-19(16)25)23-24-20(26)12-21-22-18(13-27-21)15-7-5-4-6-8-15/h4-11,13,25H,3,12H2,1-2H3,(H,24,26)/b23-17+.
What are the key properties of N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 379.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135767867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).