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

C23H18FN3OS — CID 46927797

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc2)ccn1
InChIInChI=1S/C23H18FN3OS/c1-15-12-19(10-11-25-15)17-4-2-16(3-5-17)13-22(28)27-23-26-21(14-29-23)18-6-8-20(24)9-7-18/h2-12,14H,13H2,1H3,(H,26,27,28)
InChIKeyICQJXSPVFAZYOD-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.50
Rot. Bonds5

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 46927797) has the molecular formula C23H18FN3OS and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID46927797
Molecular FormulaC23H18FN3OS
Molecular Weight403.48 g/mol
Exact Mass403.12
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc2)ccn1
InChIInChI=1S/C23H18FN3OS/c1-15-12-19(10-11-25-15)17-4-2-16(3-5-17)13-22(28)27-23-26-21(14-29-23)18-6-8-20(24)9-7-18/h2-12,14H,13H2,1H3,(H,26,27,28)
InChIKeyICQJXSPVFAZYOD-UHFFFAOYSA-N
XLogP5.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
2-(4-fluorophenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7597175
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 110502620
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46686289
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2114533
methyl 4-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 43951125

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 46927797) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc2)ccn1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is ICQJXSPVFAZYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3OS/c1-15-12-19(10-11-25-15)17-4-2-16(3-5-17)13-22(28)27-23-26-21(14-29-23)18-6-8-20(24)9-7-18/h2-12,14H,13H2,1H3,(H,26,27,28).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 46927797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).