5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide

C18H13FN2O2S — CID 9085542

IUPAC5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2s1
InChIInChI=1S/C18H13FN2O2S/c1-9-13-7-11(19)3-6-15(13)23-17(9)18(22)21-12-4-5-14-16(8-12)24-10(2)20-14/h3-8H,1-2H3,(H,21,22)
InChIKeyUTTFFDFRBMUFAV-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.05
Rot. Bonds2

About 5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide (PubChem CID 9085542) has the molecular formula C18H13FN2O2S and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
PubChem CID9085542
Molecular FormulaC18H13FN2O2S
Molecular Weight340.38 g/mol
Exact Mass340.07
IUPAC Name5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2s1
InChIInChI=1S/C18H13FN2O2S/c1-9-13-7-11(19)3-6-15(13)23-17(9)18(22)21-12-4-5-14-16(8-12)24-10(2)20-14/h3-8H,1-2H3,(H,21,22)
InChIKeyUTTFFDFRBMUFAV-UHFFFAOYSA-N
XLogP5.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide (CID 9085542) is 5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide is Cc1nc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2s1.
What is the InChIKey of 5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The InChIKey is UTTFFDFRBMUFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2S/c1-9-13-7-11(19)3-6-15(13)23-17(9)18(22)21-12-4-5-14-16(8-12)24-10(2)20-14/h3-8H,1-2H3,(H,21,22).
What are the key properties of 5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9085542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).