N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide

C17H13FN2O2S — CID 22283409

IUPACN-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
SMILESC=Cc1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
InChIInChI=1S/C17H13FN2O2S/c1-3-10-6-9-13(22-2)14-15(10)23-17(19-14)20-16(21)11-4-7-12(18)8-5-11/h3-9H,1H2,2H3,(H,19,20,21)
InChIKeyOQSNASYUFKOLQJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.34
Rot. Bonds4

About N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide

N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide (PubChem CID 22283409) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
PubChem CID22283409
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC NameN-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
SMILESC=Cc1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
InChIInChI=1S/C17H13FN2O2S/c1-3-10-6-9-13(22-2)14-15(10)23-17(19-14)20-16(21)11-4-7-12(18)8-5-11/h3-9H,1H2,2H3,(H,19,20,21)
InChIKeyOQSNASYUFKOLQJ-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283414
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide
CID 10172774
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)urea
CID 121082501
methyl 4-[2-[(4-fluorobenzoyl)amino]-4-methoxy-1,3-benzothiazol-7-yl]piperidine-1-carboxylate
CID 86588849
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266927
4-fluoro-N-[4-methoxy-7-[methyl(oxan-4-yl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 10173219
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
CID 7590088
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 22283126

Frequently Asked Questions

What is the IUPAC name of N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide (CID 22283409) is N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide is C=Cc1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12.
What is the InChIKey of N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The InChIKey is OQSNASYUFKOLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-3-10-6-9-13(22-2)14-15(10)23-17(19-14)20-16(21)11-4-7-12(18)8-5-11/h3-9H,1H2,2H3,(H,19,20,21).
What are the key properties of N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide has a molecular weight of 328.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 22283409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).