2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide

C15H18N4O2S — CID 75134438

IUPAC2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CON=C(N)Cc2csc(C)n2)c1
InChIInChI=1S/C15H18N4O2S/c1-10-4-3-5-12(6-10)18-15(20)8-21-19-14(16)7-13-9-22-11(2)17-13/h3-6,9H,7-8H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyYOMRZSDTDOXTDR-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.23
Rot. Bonds6

About 2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide

2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide (PubChem CID 75134438) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide
PubChem CID75134438
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CON=C(N)Cc2csc(C)n2)c1
InChIInChI=1S/C15H18N4O2S/c1-10-4-3-5-12(6-10)18-15(20)8-21-19-14(16)7-13-9-22-11(2)17-13/h3-6,9H,7-8H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyYOMRZSDTDOXTDR-UHFFFAOYSA-N
XLogP2.23
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-iodophenyl)acetamide
CID 75136872
2-[(E)-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 60523791
N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61284009
N'-[(3,5-dimethylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76870733
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide
CID 9372104
N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869
2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide
CID 19242160
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38205069
N'-[2-(2,5-dimethylphenoxy)ethoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 95678983
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943

Frequently Asked Questions

What is the IUPAC name of 2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide (CID 75134438) is 2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CON=C(N)Cc2csc(C)n2)c1.
What is the InChIKey of 2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide?
The InChIKey is YOMRZSDTDOXTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-4-3-5-12(6-10)18-15(20)8-21-19-14(16)7-13-9-22-11(2)17-13/h3-6,9H,7-8H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of 2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide?
2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide has a molecular weight of 318.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 75134438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).