N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide

C24H19FN2OS — CID 2569039

IUPACN-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C24H19FN2OS/c1-16-11-13-17(14-12-16)23-21(27-24(29-23)18-7-3-2-4-8-18)15-22(28)26-20-10-6-5-9-19(20)25/h2-14H,15H2,1H3,(H,26,28)
InChIKeyKKFKZTYABBRFHY-UHFFFAOYSA-N
MW402.49 g/mol
LogP6.11
Rot. Bonds5

About N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide

N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide (PubChem CID 2569039) has the molecular formula C24H19FN2OS and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
PubChem CID2569039
Molecular FormulaC24H19FN2OS
Molecular Weight402.49 g/mol
Exact Mass402.12
IUPAC NameN-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C24H19FN2OS/c1-16-11-13-17(14-12-16)23-21(27-24(29-23)18-7-3-2-4-8-18)15-22(28)26-20-10-6-5-9-19(20)25/h2-14H,15H2,1H3,(H,26,28)
InChIKeyKKFKZTYABBRFHY-UHFFFAOYSA-N
XLogP6.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide (CID 2569039) is N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide?
The InChIKey is KKFKZTYABBRFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2OS/c1-16-11-13-17(14-12-16)23-21(27-24(29-23)18-7-3-2-4-8-18)15-22(28)26-20-10-6-5-9-19(20)25/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide?
N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 402.49 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 2569039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).