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

C20H16F2N2O3S — CID 167986981

IUPACN-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)NC1COc2ccc(F)cc21
InChIInChI=1S/C20H16F2N2O3S/c1-11-19(28-18(23-11)10-26-14-5-2-12(21)3-6-14)20(25)24-16-9-27-17-7-4-13(22)8-15(16)17/h2-8,16H,9-10H2,1H3,(H,24,25)
InChIKeyVWCTWPHJLFILEU-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.17
Rot. Bonds5

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

N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 167986981) has the molecular formula C20H16F2N2O3S and a molecular weight of 402.42 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID167986981
Molecular FormulaC20H16F2N2O3S
Molecular Weight402.42 g/mol
Exact Mass402.08
IUPAC NameN-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)NC1COc2ccc(F)cc21
InChIInChI=1S/C20H16F2N2O3S/c1-11-19(28-18(23-11)10-26-14-5-2-12(21)3-6-14)20(25)24-16-9-27-17-7-4-13(22)8-15(16)17/h2-8,16H,9-10H2,1H3,(H,24,25)
InChIKeyVWCTWPHJLFILEU-UHFFFAOYSA-N
XLogP4.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 167986981) is N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC1COc2ccc(F)cc21.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VWCTWPHJLFILEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3S/c1-11-19(28-18(23-11)10-26-14-5-2-12(21)3-6-14)20(25)24-16-9-27-17-7-4-13(22)8-15(16)17/h2-8,16H,9-10H2,1H3,(H,24,25).
What are the key properties of N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 402.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167986981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).