N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide

C17H15FN2O2S — CID 3995902

IUPACN-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
SMILESCCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(F)cc1)n2C
InChIInChI=1S/C17H15FN2O2S/c1-3-22-13-8-9-14-15(10-13)23-17(20(14)2)19-16(21)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3/b19-17-
InChIKeyUENYBGDVMFAYAY-ZPHPHTNESA-N
MW330.38 g/mol
LogP3.52
Rot. Bonds3

About N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide

N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide (PubChem CID 3995902) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
PubChem CID3995902
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
SMILESCCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(F)cc1)n2C
InChIInChI=1S/C17H15FN2O2S/c1-3-22-13-8-9-14-15(10-13)23-17(20(14)2)19-16(21)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3/b19-17-
InChIKeyUENYBGDVMFAYAY-ZPHPHTNESA-N
XLogP3.52
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The IUPAC name of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide (CID 3995902) is N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide.
What is the SMILES notation for N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The canonical SMILES for N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide is CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(F)cc1)n2C.
What is the InChIKey of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The InChIKey is UENYBGDVMFAYAY-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-3-22-13-8-9-14-15(10-13)23-17(20(14)2)19-16(21)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3/b19-17-.
What are the key properties of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide has a molecular weight of 330.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide is sourced from PubChem (CID 3995902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).