2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide

C18H16ClFN2O2S — CID 43984884

IUPAC2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(F)ccc21
InChIInChI=1S/C18H16ClFN2O2S/c1-2-9-22-15-8-5-13(20)10-16(15)25-18(22)21-17(23)11-24-14-6-3-12(19)4-7-14/h3-8,10H,2,9,11H2,1H3/b21-18-
InChIKeyXPWGGSNOFJHJPM-UZYVYHOESA-N
MW378.86 g/mol
LogP4.41
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide

2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 43984884) has the molecular formula C18H16ClFN2O2S and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID43984884
Molecular FormulaC18H16ClFN2O2S
Molecular Weight378.86 g/mol
Exact Mass378.06
IUPAC Name2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(F)ccc21
InChIInChI=1S/C18H16ClFN2O2S/c1-2-9-22-15-8-5-13(20)10-16(15)25-18(22)21-17(23)11-24-14-6-3-12(19)4-7-14/h3-8,10H,2,9,11H2,1H3/b21-18-
InChIKeyXPWGGSNOFJHJPM-UZYVYHOESA-N
XLogP4.41
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenoxy)acetamide
CID 43937829
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide
CID 3492317
N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-chlorophenoxy)acetamide
CID 3562327
ethyl 2-[2-[2-(4-chlorophenoxy)acetyl]imino-6-ethyl-1,3-benzothiazol-3-yl]acetate
CID 40996729
ethyl 2-[2-(4-chlorophenoxy)acetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate
CID 4125569
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-[2-[(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)amino]-2-oxoethoxy]acetamide
CID 4061370
2-(4-chlorophenoxy)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
CID 40697668
2-(4-chlorophenoxy)-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 40508911
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide
CID 43984697
ethyl 2-[6-ethyl-2-[2-(4-fluorophenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 43940711
ethyl 3-[6-chloro-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propanoate
CID 8612678
ethyl 2-[2-[2-(4-chlorophenoxy)acetyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate
CID 40997269

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide (CID 43984884) is 2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide is CCCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(F)ccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is XPWGGSNOFJHJPM-UZYVYHOESA-N. The full InChI is InChI=1S/C18H16ClFN2O2S/c1-2-9-22-15-8-5-13(20)10-16(15)25-18(22)21-17(23)11-24-14-6-3-12(19)4-7-14/h3-8,10H,2,9,11H2,1H3/b21-18-.
What are the key properties of 2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 378.86 g/mol, XLogP of 4.41, 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-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 43984884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).