2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide

C16H13Cl2N3O2S — CID 4054497

IUPAC2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
SMILESCn1c(=NNC(=O)COc2ccc(Cl)cc2Cl)sc2ccccc21
InChIInChI=1S/C16H13Cl2N3O2S/c1-21-12-4-2-3-5-14(12)24-16(21)20-19-15(22)9-23-13-7-6-10(17)8-11(13)18/h2-8H,9H2,1H3,(H,19,22)
InChIKeyOBLXYKXKZPOOBL-UHFFFAOYSA-N
MW382.27 g/mol
LogP3.56
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide

2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide (PubChem CID 4054497) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
PubChem CID4054497
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
SMILESCn1c(=NNC(=O)COc2ccc(Cl)cc2Cl)sc2ccccc21
InChIInChI=1S/C16H13Cl2N3O2S/c1-21-12-4-2-3-5-14(12)24-16(21)20-19-15(22)9-23-13-7-6-10(17)8-11(13)18/h2-8H,9H2,1H3,(H,19,22)
InChIKeyOBLXYKXKZPOOBL-UHFFFAOYSA-N
XLogP3.56
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide
CID 7928967
2-(2,4-dichlorophenoxy)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 3437777
2,5-dichloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiophene-3-carboxamide
CID 7087730
2-(2,4-dichlorophenoxy)-N-(1-methylbenzimidazol-2-yl)acetamide
CID 35280310
2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 7928815
ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate
CID 6013283
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(4-methylphenoxy)propanamide
CID 7928957
4-chloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-1H-pyrrole-2-carboxamide
CID 47118697
2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3262118
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 6235822
2-(2,4-dichlorophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135490414

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide (CID 4054497) is 2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide is Cn1c(=NNC(=O)COc2ccc(Cl)cc2Cl)sc2ccccc21.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The InChIKey is OBLXYKXKZPOOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-21-12-4-2-3-5-14(12)24-16(21)20-19-15(22)9-23-13-7-6-10(17)8-11(13)18/h2-8H,9H2,1H3,(H,19,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide has a molecular weight of 382.27 g/mol, XLogP of 3.56, 4 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-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide is sourced from PubChem (CID 4054497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).