N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide

C21H20FN3O2S2 — CID 46632717

IUPACN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)CSc3ccccc3F)n2)cc1
InChIInChI=1S/C21H20FN3O2S2/c1-13(23-14(2)26)15-7-9-16(10-8-15)18-11-29-21(24-18)25-20(27)12-28-19-6-4-3-5-17(19)22/h3-11,13H,12H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyWCNCTSKMMKSPGY-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.88
Rot. Bonds7

About N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 46632717) has the molecular formula C21H20FN3O2S2 and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID46632717
Molecular FormulaC21H20FN3O2S2
Molecular Weight429.54 g/mol
Exact Mass429.10
IUPAC NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)CSc3ccccc3F)n2)cc1
InChIInChI=1S/C21H20FN3O2S2/c1-13(23-14(2)26)15-7-9-16(10-8-15)18-11-29-21(24-18)25-20(27)12-28-19-6-4-3-5-17(19)22/h3-11,13H,12H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyWCNCTSKMMKSPGY-UHFFFAOYSA-N
XLogP4.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7918142
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 55434116
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134009905
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 46668783
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 42375876
2-(2,4-difluorophenyl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8837208
N-[2-[[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55607655
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 33302254
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 55447598
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 46668786
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24529270

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide (CID 46632717) is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide is CC(=O)NC(C)c1ccc(-c2csc(NC(=O)CSc3ccccc3F)n2)cc1.
What is the InChIKey of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is WCNCTSKMMKSPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S2/c1-13(23-14(2)26)15-7-9-16(10-8-15)18-11-29-21(24-18)25-20(27)12-28-19-6-4-3-5-17(19)22/h3-11,13H,12H2,1-2H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide?
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 429.54 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 46632717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).