5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide

C15H13FN2O2S — CID 23613044

IUPAC5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1nc(CNC(=O)c2oc3ccc(F)cc3c2C)cs1
InChIInChI=1S/C15H13FN2O2S/c1-8-12-5-10(16)3-4-13(12)20-14(8)15(19)17-6-11-7-21-9(2)18-11/h3-5,7H,6H2,1-2H3,(H,17,19)
InChIKeyHUDGERILFCPRPM-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.58
Rot. Bonds3

About 5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 23613044) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID23613044
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1nc(CNC(=O)c2oc3ccc(F)cc3c2C)cs1
InChIInChI=1S/C15H13FN2O2S/c1-8-12-5-10(16)3-4-13(12)20-14(8)15(19)17-6-11-7-21-9(2)18-11/h3-5,7H,6H2,1-2H3,(H,17,19)
InChIKeyHUDGERILFCPRPM-UHFFFAOYSA-N
XLogP3.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.58
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-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide (CID 23613044) is 5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide is Cc1nc(CNC(=O)c2oc3ccc(F)cc3c2C)cs1.
What is the InChIKey of 5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is HUDGERILFCPRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-8-12-5-10(16)3-4-13(12)20-14(8)15(19)17-6-11-7-21-9(2)18-11/h3-5,7H,6H2,1-2H3,(H,17,19).
What are the key properties of 5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.58, 3 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-thiazol-4-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 23613044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).