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

C24H18F3N3OS — CID 58447874

IUPAC2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cc2C(F)(F)F)ccn1
InChIInChI=1S/C24H18F3N3OS/c1-15-11-18(9-10-28-15)19-8-7-16(12-20(19)24(25,26)27)13-22(31)30-23-29-21(14-32-23)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,29,30,31)
InChIKeySBBQATIAFCVVRX-UHFFFAOYSA-N
MW453.49 g/mol
LogP6.38
Rot. Bonds5

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

2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 58447874) has the molecular formula C24H18F3N3OS and a molecular weight of 453.49 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID58447874
Molecular FormulaC24H18F3N3OS
Molecular Weight453.49 g/mol
Exact Mass453.11
IUPAC Name2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cc2C(F)(F)F)ccn1
InChIInChI=1S/C24H18F3N3OS/c1-15-11-18(9-10-28-15)19-8-7-16(12-20(19)24(25,26)27)13-22(31)30-23-29-21(14-32-23)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,29,30,31)
InChIKeySBBQATIAFCVVRX-UHFFFAOYSA-N
XLogP6.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.49
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 58447874) is 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cc2C(F)(F)F)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is SBBQATIAFCVVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3OS/c1-15-11-18(9-10-28-15)19-8-7-16(12-20(19)24(25,26)27)13-22(31)30-23-29-21(14-32-23)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,29,30,31).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 453.49 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 58447874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).