3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

C19H17FN2O2S — CID 110317449

IUPAC3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOc1cccc(-c2nc(CCNC(=O)c3cccc(F)c3)cs2)c1
InChIInChI=1S/C19H17FN2O2S/c1-24-17-7-3-5-14(11-17)19-22-16(12-25-19)8-9-21-18(23)13-4-2-6-15(20)10-13/h2-7,10-12H,8-9H2,1H3,(H,21,23)
InChIKeyGJSOCLDFBQPSQH-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.93
Rot. Bonds6

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

3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 110317449) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID110317449
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOc1cccc(-c2nc(CCNC(=O)c3cccc(F)c3)cs2)c1
InChIInChI=1S/C19H17FN2O2S/c1-24-17-7-3-5-14(11-17)19-22-16(12-25-19)8-9-21-18(23)13-4-2-6-15(20)10-13/h2-7,10-12H,8-9H2,1H3,(H,21,23)
InChIKeyGJSOCLDFBQPSQH-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317450
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518505
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 18565228
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
CID 7518434
4-chloro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-nitrobenzamide
CID 7518536
3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162654564
5-bromo-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
CID 7216624
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-nitrobenzamide
CID 7216589
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 110317449) is 3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is COc1cccc(-c2nc(CCNC(=O)c3cccc(F)c3)cs2)c1.
What is the InChIKey of 3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is GJSOCLDFBQPSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-24-17-7-3-5-14(11-17)19-22-16(12-25-19)8-9-21-18(23)13-4-2-6-15(20)10-13/h2-7,10-12H,8-9H2,1H3,(H,21,23).
What are the key properties of 3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 110317449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).