N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide

C13H13Cl2N3OS — CID 75268261

IUPACN'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
SMILESCc1nc(CC(N)=NOCc2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C13H13Cl2N3OS/c1-8-17-10(7-20-8)5-13(16)18-19-6-9-2-3-11(14)12(15)4-9/h2-4,7H,5-6H2,1H3,(H2,16,18)
InChIKeyRHHQPHUXMBHPRY-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.79
Rot. Bonds5

About N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide

N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide (PubChem CID 75268261) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
PubChem CID75268261
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC NameN'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
SMILESCc1nc(CC(N)=NOCc2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C13H13Cl2N3OS/c1-8-17-10(7-20-8)5-13(16)18-19-6-9-2-3-11(14)12(15)4-9/h2-4,7H,5-6H2,1H3,(H2,16,18)
InChIKeyRHHQPHUXMBHPRY-UHFFFAOYSA-N
XLogP3.79
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-[(3,5-dimethylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76870733
N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76889643
N'-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76870735
N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76889668
2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide
CID 76889666
N'-[2-(2,5-dimethylphenoxy)ethoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 95678983
N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 57374618
2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide
CID 75134438
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'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772
1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799514

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide?
The IUPAC name of N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide (CID 75268261) is N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide.
What is the SMILES notation for N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide?
The canonical SMILES for N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide is Cc1nc(CC(N)=NOCc2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide?
The InChIKey is RHHQPHUXMBHPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-8-17-10(7-20-8)5-13(16)18-19-6-9-2-3-11(14)12(15)4-9/h2-4,7H,5-6H2,1H3,(H2,16,18).
What are the key properties of N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide?
N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide has a molecular weight of 330.24 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide is sourced from PubChem (CID 75268261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).