N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide

C18H16FN3O2S — CID 51067157

IUPACN-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide
SMILESCN(C)C(=O)Cn1/c(=N/C(=O)c2ccccc2F)sc2ccccc21
InChIInChI=1S/C18H16FN3O2S/c1-21(2)16(23)11-22-14-9-5-6-10-15(14)25-18(22)20-17(24)12-7-3-4-8-13(12)19/h3-10H,11H2,1-2H3/b20-18-
InChIKeyRUJNMZYWIKYKMV-ZZEZOPTASA-N
MW357.41 g/mol
LogP2.67
Rot. Bonds3

About N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide

N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide (PubChem CID 51067157) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide
PubChem CID51067157
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide
SMILESCN(C)C(=O)Cn1/c(=N/C(=O)c2ccccc2F)sc2ccccc21
InChIInChI=1S/C18H16FN3O2S/c1-21(2)16(23)11-22-14-9-5-6-10-15(14)25-18(22)20-17(24)12-7-3-4-8-13(12)19/h3-10H,11H2,1-2H3/b20-18-
InChIKeyRUJNMZYWIKYKMV-ZZEZOPTASA-N
XLogP2.67
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide?
The IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide (CID 51067157) is N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide is CN(C)C(=O)Cn1/c(=N/C(=O)c2ccccc2F)sc2ccccc21.
What is the InChIKey of N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide?
The InChIKey is RUJNMZYWIKYKMV-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-21(2)16(23)11-22-14-9-5-6-10-15(14)25-18(22)20-17(24)12-7-3-4-8-13(12)19/h3-10H,11H2,1-2H3/b20-18-.
What are the key properties of N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide?
N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide has a molecular weight of 357.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide is sourced from PubChem (CID 51067157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).