N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide

C16H12F2N2OS2 — CID 24509129

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccccc1F)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H12F2N2OS2/c17-10-5-6-12-14(9-10)23-16(19-12)20-15(21)7-8-22-13-4-2-1-3-11(13)18/h1-6,9H,7-8H2,(H,19,20,21)
InChIKeyAKGUYOKGGNOUBF-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.70
Rot. Bonds5

About N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 24509129) has the molecular formula C16H12F2N2OS2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide
PubChem CID24509129
Molecular FormulaC16H12F2N2OS2
Molecular Weight350.42 g/mol
Exact Mass350.04
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccccc1F)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H12F2N2OS2/c17-10-5-6-12-14(9-10)23-16(19-12)20-15(21)7-8-22-13-4-2-1-3-11(13)18/h1-6,9H,7-8H2,(H,19,20,21)
InChIKeyAKGUYOKGGNOUBF-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 2102486
2-benzylsulfanyl-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 963436
N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3315961
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2549979
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 4281794
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide
CID 78828524
N-(6-bromo-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 41086909
N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 41151948
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2349260
2-(1,2-benzoxazol-3-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 35533618
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide (CID 24509129) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide is O=C(CCSc1ccccc1F)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is AKGUYOKGGNOUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2OS2/c17-10-5-6-12-14(9-10)23-16(19-12)20-15(21)7-8-22-13-4-2-1-3-11(13)18/h1-6,9H,7-8H2,(H,19,20,21).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 24509129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).