4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C24H19FN2O2S — CID 43984866

IUPAC4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2cc(F)ccc21
InChIInChI=1S/C24H19FN2O2S/c1-2-14-27-20-13-12-19(25)15-21(20)30-24(27)26-23(29)18-10-8-17(9-11-18)22(28)16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3/b26-24-
InChIKeyJHOOPIGAYZGRIO-LCUIJRPUSA-N
MW418.49 g/mol
LogP5.22
Rot. Bonds5

About 4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43984866) has the molecular formula C24H19FN2O2S and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43984866
Molecular FormulaC24H19FN2O2S
Molecular Weight418.49 g/mol
Exact Mass418.12
IUPAC Name4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2cc(F)ccc21
InChIInChI=1S/C24H19FN2O2S/c1-2-14-27-20-13-12-19(25)15-21(20)30-24(27)26-23(29)18-10-8-17(9-11-18)22(28)16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3/b26-24-
InChIKeyJHOOPIGAYZGRIO-LCUIJRPUSA-N
XLogP5.22
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-N-[3-(2-ethoxyethyl)-6-fluoro-1,3-benzothiazol-2-ylidene]benzamide
CID 4671209
4-fluoro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983952
4-(dimethylsulfamoyl)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984872
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984193
N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 8612770
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 43984453
4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984132
4-acetyl-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 4190703
N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 43984928
methyl 4-[(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 3577819
4-bromo-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 2104887
4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984720

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43984866) is 4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2cc(F)ccc21.
What is the InChIKey of 4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is JHOOPIGAYZGRIO-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H19FN2O2S/c1-2-14-27-20-13-12-19(25)15-21(20)30-24(27)26-23(29)18-10-8-17(9-11-18)22(28)16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3/b26-24-.
What are the key properties of 4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 418.49 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43984866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).