N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide

C16H13FN2O2S — CID 2151172

IUPACN-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(F)c21
InChIInChI=1S/C16H13FN2O2S/c1-19-15-12(17)8-5-9-13(15)22-16(19)18-14(20)10-21-11-6-3-2-4-7-11/h2-9H,10H2,1H3/b18-16-
InChIKeyFAHNVDZQSOZISP-VLGSPTGOSA-N
MW316.36 g/mol
LogP2.89
Rot. Bonds3

About N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide

N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (PubChem CID 2151172) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
PubChem CID2151172
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
SMILESCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(F)c21
InChIInChI=1S/C16H13FN2O2S/c1-19-15-12(17)8-5-9-13(15)22-16(19)18-14(20)10-21-11-6-3-2-4-7-11/h2-9H,10H2,1H3/b18-16-
InChIKeyFAHNVDZQSOZISP-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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The IUPAC name of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide (CID 2151172) is N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The canonical SMILES for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is Cn1/c(=N/C(=O)COc2ccccc2)sc2cccc(F)c21.
What is the InChIKey of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
The InChIKey is FAHNVDZQSOZISP-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-19-15-12(17)8-5-9-13(15)22-16(19)18-14(20)10-21-11-6-3-2-4-7-11/h2-9H,10H2,1H3/b18-16-.
What are the key properties of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide?
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide 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 N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide is sourced from PubChem (CID 2151172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).