2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide

C18H14Cl2N2O2S — CID 43943994

IUPAC2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESC=CCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cccc(Cl)c21
InChIInChI=1S/C18H14Cl2N2O2S/c1-2-10-22-17-14(20)4-3-5-15(17)25-18(22)21-16(23)11-24-13-8-6-12(19)7-9-13/h2-9H,1,10-11H2/b21-18-
InChIKeyRILMAOSIGRHSQD-UZYVYHOESA-N
MW393.30 g/mol
LogP4.70
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide

2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 43943994) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID43943994
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC Name2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESC=CCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cccc(Cl)c21
InChIInChI=1S/C18H14Cl2N2O2S/c1-2-10-22-17-14(20)4-3-5-15(17)25-18(22)21-16(23)11-24-13-8-6-12(19)7-9-13/h2-9H,1,10-11H2/b21-18-
InChIKeyRILMAOSIGRHSQD-UZYVYHOESA-N
XLogP4.70
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-chloro-2-[2-(4-chlorophenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 41204794
N,N'-bis(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)decanediamide
CID 43944761
N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 5223678
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 41001557
2-(2-fluorophenoxy)-N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43943015
2-(4-methylphenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43942661
2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43942632
N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,2-diphenylacetamide
CID 43944230
N-(5-chloro-4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide
CID 43944046
2-(4-chlorophenoxy)-N-[4,6-dichloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 41202828
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenoxy)acetamide
CID 43980291
N-(4,7-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(4-ethoxyphenyl)acetamide
CID 30715588

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide (CID 43943994) is 2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide is C=CCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cccc(Cl)c21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is RILMAOSIGRHSQD-UZYVYHOESA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c1-2-10-22-17-14(20)4-3-5-15(17)25-18(22)21-16(23)11-24-13-8-6-12(19)7-9-13/h2-9H,1,10-11H2/b21-18-.
What are the key properties of 2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 393.30 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 43943994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).