N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide

C20H19FN2O2S — CID 59192156

IUPACN-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(C)=CCOc1cccc(CNC(=O)c2ccc3ncsc3c2)c1F
InChIInChI=1S/C20H19FN2O2S/c1-13(2)8-9-25-17-5-3-4-15(19(17)21)11-22-20(24)14-6-7-16-18(10-14)26-12-23-16/h3-8,10,12H,9,11H2,1-2H3,(H,22,24)
InChIKeyCREXZYOVTSNVII-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.71
Rot. Bonds6

About N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide

N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 59192156) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID59192156
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC NameN-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(C)=CCOc1cccc(CNC(=O)c2ccc3ncsc3c2)c1F
InChIInChI=1S/C20H19FN2O2S/c1-13(2)8-9-25-17-5-3-4-15(19(17)21)11-22-20(24)14-6-7-16-18(10-14)26-12-23-16/h3-8,10,12H,9,11H2,1-2H3,(H,22,24)
InChIKeyCREXZYOVTSNVII-UHFFFAOYSA-N
XLogP4.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3-but-2-ynoxy-2-fluorophenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 91046438
N-[(2-fluoro-3-pent-4-enoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 68985476
N-[(2-fluoro-3-oct-4-enoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 91598374
N-[(2-fluoro-3-oct-6-enoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 90736257
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17397618
N-(3,7-dimethylocta-2,6-dienyl)-1,3-benzothiazole-6-carboxamide
CID 68864330
N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 59192170
N-[(2-fluoro-3-hept-2-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733437
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17491209
N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide
CID 68558882
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628
N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide
CID 7809035

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide (CID 59192156) is N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide is CC(C)=CCOc1cccc(CNC(=O)c2ccc3ncsc3c2)c1F.
What is the InChIKey of N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is CREXZYOVTSNVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-13(2)8-9-25-17-5-3-4-15(19(17)21)11-22-20(24)14-6-7-16-18(10-14)26-12-23-16/h3-8,10,12H,9,11H2,1-2H3,(H,22,24).
What are the key properties of N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 59192156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).