N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide

C20H15FN2O3S — CID 71590120

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)coc2c1
InChIInChI=1S/C20H15FN2O3S/c1-25-14-6-7-16-17(11-26-18(16)9-14)19(24)23-20-22-10-15(27-20)8-12-2-4-13(21)5-3-12/h2-7,9-11H,8H2,1H3,(H,22,23,24)
InChIKeyDYTRKHKGNNFQSY-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.88
Rot. Bonds5

About N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide (PubChem CID 71590120) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide
PubChem CID71590120
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)coc2c1
InChIInChI=1S/C20H15FN2O3S/c1-25-14-6-7-16-17(11-26-18(16)9-14)19(24)23-20-22-10-15(27-20)8-12-2-4-13(21)5-3-12/h2-7,9-11H,8H2,1H3,(H,22,23,24)
InChIKeyDYTRKHKGNNFQSY-UHFFFAOYSA-N
XLogP4.88
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide (CID 71590120) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide is COc1ccc2c(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)coc2c1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide?
The InChIKey is DYTRKHKGNNFQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c1-25-14-6-7-16-17(11-26-18(16)9-14)19(24)23-20-22-10-15(27-20)8-12-2-4-13(21)5-3-12/h2-7,9-11H,8H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-6-methoxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71590120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).