N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide

C20H15FN2O2S — CID 30707584

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C20H15FN2O2S/c1-13-4-2-5-14(10-13)19(24)23(12-16-6-3-9-25-16)20-22-17-8-7-15(21)11-18(17)26-20/h2-11H,12H2,1H3
InChIKeyIEZRYNZJGDBUBW-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.18
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide (PubChem CID 30707584) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide
PubChem CID30707584
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C20H15FN2O2S/c1-13-4-2-5-14(10-13)19(24)23(12-16-6-3-9-25-16)20-22-17-8-7-15(21)11-18(17)26-20/h2-11H,12H2,1H3
InChIKeyIEZRYNZJGDBUBW-UHFFFAOYSA-N
XLogP5.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 30713046
N-(furan-2-ylmethyl)-4-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 8703042
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methylsulfonylbenzamide
CID 30708073
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362982
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
CID 30707861
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 30713044
4-[cyclohexyl(methyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949186
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
CID 30707289
4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949188
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
CID 30707728
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949178
N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8718552

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide (CID 30707584) is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide is Cc1cccc(C(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)c1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide?
The InChIKey is IEZRYNZJGDBUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-13-4-2-5-14(10-13)19(24)23(12-16-6-3-9-25-16)20-22-17-8-7-15(21)11-18(17)26-20/h2-11H,12H2,1H3.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide has a molecular weight of 366.42 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 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)-N-(furan-2-ylmethyl)-3-methylbenzamide is sourced from PubChem (CID 30707584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).