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

C17H14FN3O3S — CID 22283414

IUPACN-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
SMILESCOc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C17H14FN3O3S/c1-9(22)19-12-7-8-13(24-2)14-15(12)25-17(20-14)21-16(23)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyBAHHPLVRJISHAN-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.65
Rot. Bonds4

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

N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide (PubChem CID 22283414) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
PubChem CID22283414
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC NameN-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
SMILESCOc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C17H14FN3O3S/c1-9(22)19-12-7-8-13(24-2)14-15(12)25-17(20-14)21-16(23)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyBAHHPLVRJISHAN-UHFFFAOYSA-N
XLogP3.65
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283409
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
methyl 4-[2-[(4-fluorobenzoyl)amino]-4-methoxy-1,3-benzothiazol-7-yl]piperidine-1-carboxylate
CID 86588849
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
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-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
CID 7590088
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151739
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 22283126
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266927

Frequently Asked Questions

What is the IUPAC name of N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide (CID 22283414) is N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide is COc1ccc(NC(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12.
What is the InChIKey of N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The InChIKey is BAHHPLVRJISHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c1-9(22)19-12-7-8-13(24-2)14-15(12)25-17(20-14)21-16(23)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide has a molecular weight of 359.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 22283414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).