2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide

C16H13FN2O2S — CID 7942923

IUPAC2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)COc2ccccc2F)sc2ccccc21
InChIInChI=1S/C16H13FN2O2S/c1-19-12-7-3-5-9-14(12)22-16(19)18-15(20)10-21-13-8-4-2-6-11(13)17/h2-9H,10H2,1H3/b18-16-
InChIKeyZVSLYIHOURSWBL-VLGSPTGOSA-N
MW316.36 g/mol
LogP2.89
Rot. Bonds3

About 2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide

2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 7942923) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID7942923
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)COc2ccccc2F)sc2ccccc21
InChIInChI=1S/C16H13FN2O2S/c1-19-12-7-3-5-9-14(12)22-16(19)18-15(20)10-21-13-8-4-2-6-11(13)17/h2-9H,10H2,1H3/b18-16-
InChIKeyZVSLYIHOURSWBL-VLGSPTGOSA-N
XLogP2.89
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[2-(2-fluorophenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 43939799
2-(2-fluorophenoxy)-N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43943015
methyl 2-[2-[2-(2-fluorophenoxy)acetyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 43980212
methyl 2-[2-(2-fluorophenoxy)acetyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 43939751
2-(benzenesulfonyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 18573226
ethyl 3-(2-ethoxyethyl)-2-[2-(2-fluorophenoxy)acetyl]imino-1,3-benzothiazole-6-carboxylate
CID 43937301
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxochromen-7-yl)oxyacetamide
CID 46562426
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 5121652
methyl 2-[2-methoxy-5-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenoxy]acetate
CID 55771449
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 4098534
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 40509040
ethyl 2-[2-[2-(2-methylphenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 43940354

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 7942923) is 2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is Cn1/c(=N/C(=O)COc2ccccc2F)sc2ccccc21.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is ZVSLYIHOURSWBL-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-19-12-7-3-5-9-14(12)22-16(19)18-15(20)10-21-13-8-4-2-6-11(13)17/h2-9H,10H2,1H3/b18-16-.
What are the key properties of 2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 316.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 7942923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).