N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide

C19H17N3O2S — CID 136508300

IUPACN-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(/C=N/NC(=O)c2cnc(-c3ccccc3C)s2)ccc1O
InChIInChI=1S/C19H17N3O2S/c1-12-5-3-4-6-15(12)19-20-11-17(25-19)18(24)22-21-10-14-7-8-16(23)13(2)9-14/h3-11,23H,1-2H3,(H,22,24)/b21-10+
InChIKeyXOSNSCFICXTGGZ-UFFVCSGVSA-N
MW351.43 g/mol
LogP3.90
Rot. Bonds4

About N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide

N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 136508300) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID136508300
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(/C=N/NC(=O)c2cnc(-c3ccccc3C)s2)ccc1O
InChIInChI=1S/C19H17N3O2S/c1-12-5-3-4-6-15(12)19-20-11-17(25-19)18(24)22-21-10-14-7-8-16(23)13(2)9-14/h3-11,23H,1-2H3,(H,22,24)/b21-10+
InChIKeyXOSNSCFICXTGGZ-UFFVCSGVSA-N
XLogP3.90
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide 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-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 136508999
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 89469976
N-[(4-hydroxy-3-methylphenyl)methylideneamino]-2-[4-[2-[2-[(4-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 136506605
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 136508307
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 136508306
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-2-(2-nitrosophenyl)-1,3-thiazole-5-carboxamide
CID 137296420
5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 155881784
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 89469445
3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide
CID 794492
N-[(4-hydroxy-3-iodophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3531966
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 768844

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide (CID 136508300) is N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cc(/C=N/NC(=O)c2cnc(-c3ccccc3C)s2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XOSNSCFICXTGGZ-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12-5-3-4-6-15(12)19-20-11-17(25-19)18(24)22-21-10-14-7-8-16(23)13(2)9-14/h3-11,23H,1-2H3,(H,22,24)/b21-10+.
What are the key properties of N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136508300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).