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

C18H15FN2O2S — CID 110393547

IUPAC4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccc(O)cc2)cs1)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2S/c19-14-5-1-13(2-6-14)18(23)20-10-9-17-21-16(11-24-17)12-3-7-15(22)8-4-12/h1-8,11,22H,9-10H2,(H,20,23)
InChIKeyWTIFBTYWGLBUKF-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.63
Rot. Bonds5

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

4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 110393547) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
PubChem CID110393547
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccc(O)cc2)cs1)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2S/c19-14-5-1-13(2-6-14)18(23)20-10-9-17-21-16(11-24-17)12-3-7-15(22)8-4-12/h1-8,11,22H,9-10H2,(H,20,23)
InChIKeyWTIFBTYWGLBUKF-UHFFFAOYSA-N
XLogP3.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide
CID 110351853
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,6-dimethoxybenzamide
CID 110393552
2-(4-fluorophenyl)-N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110393662
3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393548
N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 127048131
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
CID 1497766
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 86789142
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 110393578
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide
CID 110393596
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 110393547) is 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide is O=C(NCCc1nc(-c2ccc(O)cc2)cs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The InChIKey is WTIFBTYWGLBUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c19-14-5-1-13(2-6-14)18(23)20-10-9-17-21-16(11-24-17)12-3-7-15(22)8-4-12/h1-8,11,22H,9-10H2,(H,20,23).
What are the key properties of 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 110393547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).