N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide

C22H16FN3O2S — CID 168957968

IUPACN-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(Nc1nc(-c2cncc(F)c2)cs1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16FN3O2S/c23-18-11-15(12-24-13-18)19-14-29-21(25-19)26-20(27)22(28,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,28H,(H,25,26,27)
InChIKeyUMYXHWHNGDVLIU-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.22
Rot. Bonds5

About N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide

N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 168957968) has the molecular formula C22H16FN3O2S and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide
PubChem CID168957968
Molecular FormulaC22H16FN3O2S
Molecular Weight405.45 g/mol
Exact Mass405.09
IUPAC NameN-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(Nc1nc(-c2cncc(F)c2)cs1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16FN3O2S/c23-18-11-15(12-24-13-18)19-14-29-21(25-19)26-20(27)22(28,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,28H,(H,25,26,27)
InChIKeyUMYXHWHNGDVLIU-UHFFFAOYSA-N
XLogP4.22
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide
CID 8123789
2-(2-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123825
2-(4-fluorophenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 18581471
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide
CID 58447763
2-(3-Hydroxyphenyl)-N-(4-pyridin-4-yl-thiazol-2-yl)-acetamide
CID 60097406
2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 60097661
2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 60097708
2-(2-fluorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2442759
2-(2-fluorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24830408
US10251893, Cpd 34
CID 46927797
US10251893, Cpd 35
CID 46927798
2-(4-phenylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4853885

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide (CID 168957968) is N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide is O=C(Nc1nc(-c2cncc(F)c2)cs1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is UMYXHWHNGDVLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2S/c23-18-11-15(12-24-13-18)19-14-29-21(25-19)26-20(27)22(28,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,28H,(H,25,26,27).
What are the key properties of N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide?
N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 405.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 168957968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).