3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide

C22H23FN2O3S — CID 7518505

IUPAC3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OCC
InChIInChI=1S/C22H23FN2O3S/c1-3-27-19-9-8-15(13-20(19)28-4-2)21(26)24-11-10-18-14-29-22(25-18)16-6-5-7-17(23)12-16/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,24,26)
InChIKeyZOVHVZPXCZDXFK-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.72
Rot. Bonds9

About 3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide

3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7518505) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7518505
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OCC
InChIInChI=1S/C22H23FN2O3S/c1-3-27-19-9-8-15(13-20(19)28-4-2)21(26)24-11-10-18-14-29-22(25-18)16-6-5-7-17(23)12-16/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,24,26)
InChIKeyZOVHVZPXCZDXFK-UHFFFAOYSA-N
XLogP4.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317449
4-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317450
4-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-nitrobenzamide
CID 7518536
4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7522067
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 18565228
5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
CID 7216624
2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7216597
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(3-fluorophenyl)benzamide
CID 131899873
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7518505) is 3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide is CCOc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is ZOVHVZPXCZDXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-3-27-19-9-8-15(13-20(19)28-4-2)21(26)24-11-10-18-14-29-22(25-18)16-6-5-7-17(23)12-16/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,24,26).
What are the key properties of 3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 414.50 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7518505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).