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

C20H19FN2O3S — CID 55384796

IUPAC3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)ccc1OC
InChIInChI=1S/C20H19FN2O3S/c1-3-26-18-11-14(6-9-17(18)25-2)19(24)23-20-22-12-16(27-20)10-13-4-7-15(21)8-5-13/h4-9,11-12H,3,10H2,1-2H3,(H,22,23,24)
InChIKeyGBORVMYWCLTXID-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.53
Rot. Bonds7

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

3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide (PubChem CID 55384796) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
PubChem CID55384796
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)ccc1OC
InChIInChI=1S/C20H19FN2O3S/c1-3-26-18-11-14(6-9-17(18)25-2)19(24)23-20-22-12-16(27-20)10-13-4-7-15(21)8-5-13/h4-9,11-12H,3,10H2,1-2H3,(H,22,23,24)
InChIKeyGBORVMYWCLTXID-UHFFFAOYSA-N
XLogP4.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 37149025
4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 51202299
3-(difluoromethoxy)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 78883572
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
CID 55821493
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
CID 55438043
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4684424
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyanilino)acetamide
CID 4915065
3,4-diethoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1077819
N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 46968281
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 9119417

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of 3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide (CID 55384796) is 3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for 3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide is CCOc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)ccc1OC.
What is the InChIKey of 3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The InChIKey is GBORVMYWCLTXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-3-26-18-11-14(6-9-17(18)25-2)19(24)23-20-22-12-16(27-20)10-13-4-7-15(21)8-5-13/h4-9,11-12H,3,10H2,1-2H3,(H,22,23,24).
What are the key properties of 3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide has a molecular weight of 386.45 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 55384796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).