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

C18H14F2N2OS — CID 110645265

IUPAC2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1F
InChIInChI=1S/C18H14F2N2OS/c19-13-7-5-12(6-8-13)9-14-10-21-17(24-14)11-22-18(23)15-3-1-2-4-16(15)20/h1-8,10H,9,11H2,(H,22,23)
InChIKeyTYLYOHJQWCWLOY-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.94
Rot. Bonds5

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

2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 110645265) has the molecular formula C18H14F2N2OS and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID110645265
Molecular FormulaC18H14F2N2OS
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1F
InChIInChI=1S/C18H14F2N2OS/c19-13-7-5-12(6-8-13)9-14-10-21-17(24-14)11-22-18(23)15-3-1-2-4-16(15)20/h1-8,10H,9,11H2,(H,22,23)
InChIKeyTYLYOHJQWCWLOY-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]benzamide
CID 110645392
3-cyano-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 110645268
2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 110421182
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 110645151
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103709233
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054476
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide
CID 108760464
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
2-fluoro-N-[[5-(4-formylphenyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide
CID 123918704
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide
CID 55978653
2-(2-amino-2-oxoethoxy)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 119138842

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide (CID 110645265) is 2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide is O=C(NCc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is TYLYOHJQWCWLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2OS/c19-13-7-5-12(6-8-13)9-14-10-21-17(24-14)11-22-18(23)15-3-1-2-4-16(15)20/h1-8,10H,9,11H2,(H,22,23).
What are the key properties of 2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide?
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110645265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).