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

C19H13FN2O2S — CID 71590184

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1coc2ccccc12
InChIInChI=1S/C19H13FN2O2S/c20-13-7-5-12(6-8-13)9-14-10-21-19(25-14)22-18(23)16-11-24-17-4-2-1-3-15(16)17/h1-8,10-11H,9H2,(H,21,22,23)
InChIKeyMSTJBQJREIMGKN-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.87
Rot. Bonds4

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

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide (PubChem CID 71590184) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide
PubChem CID71590184
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1coc2ccccc12
InChIInChI=1S/C19H13FN2O2S/c20-13-7-5-12(6-8-13)9-14-10-21-19(25-14)22-18(23)16-11-24-17-4-2-1-3-15(16)17/h1-8,10-11H,9H2,(H,21,22,23)
InChIKeyMSTJBQJREIMGKN-UHFFFAOYSA-N
XLogP4.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide (CID 71590184) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide is O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1coc2ccccc12.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide?
The InChIKey is MSTJBQJREIMGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c20-13-7-5-12(6-8-13)9-14-10-21-19(25-14)22-18(23)16-11-24-17-4-2-1-3-15(16)17/h1-8,10-11H,9H2,(H,21,22,23).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71590184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).