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

C19H17FN2O2S — CID 43836518

IUPAC4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(Cc2sc(NC(=O)c3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C19H17FN2O2S/c1-12-17(11-13-3-9-16(24-2)10-4-13)25-19(21-12)22-18(23)14-5-7-15(20)8-6-14/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyXLXHGNZKBKISFZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.44
Rot. Bonds5

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

4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 43836518) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID43836518
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(Cc2sc(NC(=O)c3ccc(F)cc3)nc2C)cc1
InChIInChI=1S/C19H17FN2O2S/c1-12-17(11-13-3-9-16(24-2)10-4-13)25-19(21-12)22-18(23)14-5-7-15(20)8-6-14/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyXLXHGNZKBKISFZ-UHFFFAOYSA-N
XLogP4.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
2-chloro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836464
N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide
CID 43836410
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054554
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 82342440
N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 43836662
N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
CID 56786830
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062848
N-[5-[4-(4-fluorophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 139582491

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide (CID 43836518) is 4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide is COc1ccc(Cc2sc(NC(=O)c3ccc(F)cc3)nc2C)cc1.
What is the InChIKey of 4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is XLXHGNZKBKISFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-12-17(11-13-3-9-16(24-2)10-4-13)25-19(21-12)22-18(23)14-5-7-15(20)8-6-14/h3-10H,11H2,1-2H3,(H,21,22,23).
What are the key properties of 4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 43836518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).