2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide

C13H11Cl2N3O2S — CID 9060397

IUPAC2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
SMILESCc1nc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H11Cl2N3O2S/c1-8-17-10(7-21-8)5-16-18-13(19)6-20-12-3-2-9(14)4-11(12)15/h2-5,7H,6H2,1H3,(H,18,19)/b16-5-
InChIKeyMMTSXILFXJRFTG-BNCCVWRVSA-N
MW344.22 g/mol
LogP3.29
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide

2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide (PubChem CID 9060397) has the molecular formula C13H11Cl2N3O2S and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
PubChem CID9060397
Molecular FormulaC13H11Cl2N3O2S
Molecular Weight344.22 g/mol
Exact Mass342.99
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
SMILESCc1nc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H11Cl2N3O2S/c1-8-17-10(7-21-8)5-16-18-13(19)6-20-12-3-2-9(14)4-11(12)15/h2-5,7H,6H2,1H3,(H,18,19)/b16-5-
InChIKeyMMTSXILFXJRFTG-BNCCVWRVSA-N
XLogP3.29
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.29
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-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 639603
2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 47290674
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
2-(2,4-dichlorophenoxy)-N-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]acetamide
CID 94838608
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
2-(2,4-dichlorophenoxy)-N-[(5-methyl-4-nitrothiophen-2-yl)methylideneamino]acetamide
CID 1271122
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
2-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038
2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 136718750
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide (CID 9060397) is 2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide is Cc1nc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide?
The InChIKey is MMTSXILFXJRFTG-BNCCVWRVSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2S/c1-8-17-10(7-21-8)5-16-18-13(19)6-20-12-3-2-9(14)4-11(12)15/h2-5,7H,6H2,1H3,(H,18,19)/b16-5-.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide?
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide has a molecular weight of 344.22 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 9060397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).