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

C16H13FN2O3S — CID 8895416

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2oc3ccc(F)cc3c2C)nc1C
InChIInChI=1S/C16H13FN2O3S/c1-7-11-6-10(17)4-5-12(11)22-13(7)15(21)19-16-18-8(2)14(23-16)9(3)20/h4-6H,1-3H3,(H,18,19,21)
InChIKeyPPFZCUSFZIIGAR-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.10
Rot. Bonds3

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8895416) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8895416
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2oc3ccc(F)cc3c2C)nc1C
InChIInChI=1S/C16H13FN2O3S/c1-7-11-6-10(17)4-5-12(11)22-13(7)15(21)19-16-18-8(2)14(23-16)9(3)20/h4-6H,1-3H3,(H,18,19,21)
InChIKeyPPFZCUSFZIIGAR-UHFFFAOYSA-N
XLogP4.10
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 8895416) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is CC(=O)c1sc(NC(=O)c2oc3ccc(F)cc3c2C)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is PPFZCUSFZIIGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-7-11-6-10(17)4-5-12(11)22-13(7)15(21)19-16-18-8(2)14(23-16)9(3)20/h4-6H,1-3H3,(H,18,19,21).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8895416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).