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

C23H17F2N3OS — CID 46927798

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cc2)ccn1
InChIInChI=1S/C23H17F2N3OS/c1-14-10-17(8-9-26-14)16-4-2-15(3-5-16)11-22(29)28-23-27-21(13-30-23)18-6-7-19(24)20(25)12-18/h2-10,12-13H,11H2,1H3,(H,27,28,29)
InChIKeyPRZVSBASZZOGMI-UHFFFAOYSA-N
MW421.47 g/mol
LogP5.64
Rot. Bonds5

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

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 46927798) has the molecular formula C23H17F2N3OS and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID46927798
Molecular FormulaC23H17F2N3OS
Molecular Weight421.47 g/mol
Exact Mass421.11
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cc2)ccn1
InChIInChI=1S/C23H17F2N3OS/c1-14-10-17(8-9-26-14)16-4-2-15(3-5-16)11-22(29)28-23-27-21(13-30-23)18-6-7-19(24)20(25)12-18/h2-10,12-13H,11H2,1H3,(H,27,28,29)
InChIKeyPRZVSBASZZOGMI-UHFFFAOYSA-N
XLogP5.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.47
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 46927798) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cc2)ccn1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is PRZVSBASZZOGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3OS/c1-14-10-17(8-9-26-14)16-4-2-15(3-5-16)11-22(29)28-23-27-21(13-30-23)18-6-7-19(24)20(25)12-18/h2-10,12-13H,11H2,1H3,(H,27,28,29).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 421.47 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 46927798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).