N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide

C24H21FN4OS — CID 45280032

IUPACN-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide
SMILESCCc1sc(-c2cccnc2C)nc1-c1ccc(NC(=O)c2cccc(F)c2C)nc1
InChIInChI=1S/C24H21FN4OS/c1-4-20-22(29-24(31-20)18-8-6-12-26-15(18)3)16-10-11-21(27-13-16)28-23(30)17-7-5-9-19(25)14(17)2/h5-13H,4H2,1-3H3,(H,27,28,30)
InChIKeyFZNREABKPQYDEU-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.84
Rot. Bonds5

About N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide

N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide (PubChem CID 45280032) has the molecular formula C24H21FN4OS and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide
PubChem CID45280032
Molecular FormulaC24H21FN4OS
Molecular Weight432.52 g/mol
Exact Mass432.14
IUPAC NameN-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide
SMILESCCc1sc(-c2cccnc2C)nc1-c1ccc(NC(=O)c2cccc(F)c2C)nc1
InChIInChI=1S/C24H21FN4OS/c1-4-20-22(29-24(31-20)18-8-6-12-26-15(18)3)16-10-11-21(27-13-16)28-23(30)17-7-5-9-19(25)14(17)2/h5-13H,4H2,1-3H3,(H,27,28,30)
InChIKeyFZNREABKPQYDEU-UHFFFAOYSA-N
XLogP5.84
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide 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 N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide?
The IUPAC name of N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide (CID 45280032) is N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide?
The canonical SMILES for N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide is CCc1sc(-c2cccnc2C)nc1-c1ccc(NC(=O)c2cccc(F)c2C)nc1.
What is the InChIKey of N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide?
The InChIKey is FZNREABKPQYDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS/c1-4-20-22(29-24(31-20)18-8-6-12-26-15(18)3)16-10-11-21(27-13-16)28-23(30)17-7-5-9-19(25)14(17)2/h5-13H,4H2,1-3H3,(H,27,28,30).
What are the key properties of N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide?
N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide has a molecular weight of 432.52 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-ethyl-2-(2-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-2-pyridinyl]-3-fluoro-2-methylbenzamide is sourced from PubChem (CID 45280032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).