4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide

C21H20FN3O2S — CID 41228732

IUPAC4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)c(NC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)c(C)c1
InChIInChI=1S/C21H20FN3O2S/c1-12-8-13(2)19(14(3)9-12)24-18(26)10-17-11-28-21(23-17)25-20(27)15-4-6-16(22)7-5-15/h4-9,11H,10H2,1-3H3,(H,24,26)(H,23,25,27)
InChIKeyFPXQWJKPXRGZJP-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.64
Rot. Bonds5

About 4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide

4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 41228732) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID41228732
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)c(NC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)c(C)c1
InChIInChI=1S/C21H20FN3O2S/c1-12-8-13(2)19(14(3)9-12)24-18(26)10-17-11-28-21(23-17)25-20(27)15-4-6-16(22)7-5-15/h4-9,11H,10H2,1-3H3,(H,24,26)(H,23,25,27)
InChIKeyFPXQWJKPXRGZJP-UHFFFAOYSA-N
XLogP4.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide with MolForge

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Related Compounds

4-methoxy-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 27463148
N-[4-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228676
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 41227867
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228611
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 27463137
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 18568131
N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211904
2-(4-fluorophenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7597175
4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41213345

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide (CID 41228732) is 4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide is Cc1cc(C)c(NC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)c(C)c1.
What is the InChIKey of 4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is FPXQWJKPXRGZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-12-8-13(2)19(14(3)9-12)24-18(26)10-17-11-28-21(23-17)25-20(27)15-4-6-16(22)7-5-15/h4-9,11H,10H2,1-3H3,(H,24,26)(H,23,25,27).
What are the key properties of 4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 41228732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).