2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide

C20H18FN3O2S — CID 110342285

IUPAC2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(CC(=O)NCc3ccc(F)cc3)cs2)c1
InChIInChI=1S/C20H18FN3O2S/c1-13(25)23-17-4-2-3-15(9-17)20-24-18(12-27-20)10-19(26)22-11-14-5-7-16(21)8-6-14/h2-9,12H,10-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyVYDNOJKGHWLTEY-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.77
Rot. Bonds6

About 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 110342285) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID110342285
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(CC(=O)NCc3ccc(F)cc3)cs2)c1
InChIInChI=1S/C20H18FN3O2S/c1-13(25)23-17-4-2-3-15(9-17)20-24-18(12-27-20)10-19(26)22-11-14-5-7-16(21)8-6-14/h2-9,12H,10-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyVYDNOJKGHWLTEY-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18153830
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide
CID 110342257
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882425
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 9455412
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide
CID 110342259
4-fluoro-N-[3-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]benzamide
CID 60535431
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110342205
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9309925
2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749070
4-[[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid
CID 29139384

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 110342285) is 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)Nc1cccc(-c2nc(CC(=O)NCc3ccc(F)cc3)cs2)c1.
What is the InChIKey of 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is VYDNOJKGHWLTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-13(25)23-17-4-2-3-15(9-17)20-24-18(12-27-20)10-19(26)22-11-14-5-7-16(21)8-6-14/h2-9,12H,10-11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 110342285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).