N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

C23H18FN3O2S2 — CID 38173223

IUPACN-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)Nc1cc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)ccc1F
InChIInChI=1S/C23H18FN3O2S2/c1-14(28)25-18-12-16(9-10-17(18)24)26-21(29)13-20-22(19-8-5-11-30-19)27-23(31-20)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyBWRFHXXRGBZCKT-UHFFFAOYSA-N
MW451.55 g/mol
LogP5.82
Rot. Bonds6

About N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 38173223) has the molecular formula C23H18FN3O2S2 and a molecular weight of 451.55 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID38173223
Molecular FormulaC23H18FN3O2S2
Molecular Weight451.55 g/mol
Exact Mass451.08
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)Nc1cc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)ccc1F
InChIInChI=1S/C23H18FN3O2S2/c1-14(28)25-18-12-16(9-10-17(18)24)26-21(29)13-20-22(19-8-5-11-30-19)27-23(31-20)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyBWRFHXXRGBZCKT-UHFFFAOYSA-N
XLogP5.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 55916212
N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 39575691
2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate
CID 7998369
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
N-(4-methoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 9125297
N-(3-acetamido-4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24656120
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
N-(3,5-dimethoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36765569
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-thiophen-3-ylpropanamide
CID 87006965
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (CID 38173223) is N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is CC(=O)Nc1cc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is BWRFHXXRGBZCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S2/c1-14(28)25-18-12-16(9-10-17(18)24)26-21(29)13-20-22(19-8-5-11-30-19)27-23(31-20)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 451.55 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 38173223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).