N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide

C20H19N3O2S — CID 4855071

IUPACN-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide
SMILESCc1cccc(NC(=O)C=NOCc2csc(-c3ccccc3)n2)c1C
InChIInChI=1S/C20H19N3O2S/c1-14-7-6-10-18(15(14)2)23-19(24)11-21-25-12-17-13-26-20(22-17)16-8-4-3-5-9-16/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyTVOWMVMTEZJBTR-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.57
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide

N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide (PubChem CID 4855071) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide
PubChem CID4855071
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide
SMILESCc1cccc(NC(=O)C=NOCc2csc(-c3ccccc3)n2)c1C
InChIInChI=1S/C20H19N3O2S/c1-14-7-6-10-18(15(14)2)23-19(24)11-21-25-12-17-13-26-20(22-17)16-8-4-3-5-9-16/h3-11,13H,12H2,1-2H3,(H,23,24)
InChIKeyTVOWMVMTEZJBTR-UHFFFAOYSA-N
XLogP4.57
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 110342233
(2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate
CID 3675548
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
2-[2-[4-[(2,3-dimethylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980523
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7793722
2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide
CID 153391029
(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 4857964
2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide
CID 2108303
[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55358892
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide (CID 4855071) is N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide is Cc1cccc(NC(=O)C=NOCc2csc(-c3ccccc3)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide?
The InChIKey is TVOWMVMTEZJBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-7-6-10-18(15(14)2)23-19(24)11-21-25-12-17-13-26-20(22-17)16-8-4-3-5-9-16/h3-11,13H,12H2,1-2H3,(H,23,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide?
N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide has a molecular weight of 365.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide is sourced from PubChem (CID 4855071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).