(2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

C22H20N4O3S — CID 10237982

IUPAC(2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1COc1nc(-c2ccc(C)cc2)sc1C#N
InChIInChI=1S/C22H20N4O3S/c1-14-8-10-15(11-9-14)22-25-21(18(12-23)30-22)29-13-16-6-4-5-7-17(16)19(26-28-3)20(27)24-2/h4-11H,13H2,1-3H3,(H,24,27)/b26-19+
InChIKeyYZMAGDFIJLHVFU-LGUFXXKBSA-N
MW420.49 g/mol
LogP3.67
Rot. Bonds7

About (2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

(2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 10237982) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is (2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID10237982
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name(2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1COc1nc(-c2ccc(C)cc2)sc1C#N
InChIInChI=1S/C22H20N4O3S/c1-14-8-10-15(11-9-14)22-25-21(18(12-23)30-22)29-13-16-6-4-5-7-17(16)19(26-28-3)20(27)24-2/h4-11H,13H2,1-3H3,(H,24,27)/b26-19+
InChIKeyYZMAGDFIJLHVFU-LGUFXXKBSA-N
XLogP3.67
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide
CID 91184019
(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024287
2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide
CID 54271565
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2E)-2-[2-[[2-(2,2-dichloroethenyl)-4-methylphenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87559446
2-[2-[(3-chloro-5-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 142647261
(2E)-2-methoxyimino-N-methyl-2-[2-[(4-prop-2-ynoxyphenoxy)methyl]phenyl]acetamide
CID 22419093
(2E)-2-[2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59898777
CID 91390445
CID 91390445
methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 85335184

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 10237982) is (2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)/C(=N/OC)c1ccccc1COc1nc(-c2ccc(C)cc2)sc1C#N.
What is the InChIKey of (2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is YZMAGDFIJLHVFU-LGUFXXKBSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-8-10-15(11-9-14)22-25-21(18(12-23)30-22)29-13-16-6-4-5-7-17(16)19(26-28-3)20(27)24-2/h4-11H,13H2,1-3H3,(H,24,27)/b26-19+.
What are the key properties of (2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
(2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 420.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[[5-cyano-2-(4-methylphenyl)-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 10237982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).