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

C22H19FN2O3S — CID 35345651

IUPAC5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3oc4ccc(F)cc4c3C)cs2)cc1
InChIInChI=1S/C22H19FN2O3S/c1-13-18-11-15(23)5-8-19(18)28-20(13)21(26)24-10-9-16-12-29-22(25-16)14-3-6-17(27-2)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)
InChIKeyAIJYPKWRAFXBOO-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.98
Rot. Bonds6

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

5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 35345651) has the molecular formula C22H19FN2O3S and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID35345651
Molecular FormulaC22H19FN2O3S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC Name5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3oc4ccc(F)cc4c3C)cs2)cc1
InChIInChI=1S/C22H19FN2O3S/c1-13-18-11-15(23)5-8-19(18)28-20(13)21(26)24-10-9-16-12-29-22(25-16)14-3-6-17(27-2)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)
InChIKeyAIJYPKWRAFXBOO-UHFFFAOYSA-N
XLogP4.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide
CID 35343167
5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8935487
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
CID 7518434
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186993
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496
5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52985399
N-[2-(3-bromo-4-fluorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55897249
4-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317450
5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9080704
1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317498
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 35345651) is 5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide is COc1ccc(-c2nc(CCNC(=O)c3oc4ccc(F)cc4c3C)cs2)cc1.
What is the InChIKey of 5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is AIJYPKWRAFXBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S/c1-13-18-11-15(23)5-8-19(18)28-20(13)21(26)24-10-9-16-12-29-22(25-16)14-3-6-17(27-2)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,24,26).
What are the key properties of 5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35345651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).