4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C21H22F3N5OS — CID 59579855

IUPAC4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCC(CC(C)C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H22F3N5OS/c1-12(2)9-15(14-5-6-16(27-10-14)21(22,23)24)11-28-19(30)17-13(3)29-20(31-17)18-25-7-4-8-26-18/h4-8,10,12,15H,9,11H2,1-3H3,(H,28,30)
InChIKeyASXIKCKYNHSZOE-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.88
Rot. Bonds7

About 4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 59579855) has the molecular formula C21H22F3N5OS and a molecular weight of 449.50 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID59579855
Molecular FormulaC21H22F3N5OS
Molecular Weight449.50 g/mol
Exact Mass449.15
IUPAC Name4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCC(CC(C)C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H22F3N5OS/c1-12(2)9-15(14-5-6-16(27-10-14)21(22,23)24)11-28-19(30)17-13(3)29-20(31-17)18-25-7-4-8-26-18/h4-8,10,12,15H,9,11H2,1-3H3,(H,28,30)
InChIKeyASXIKCKYNHSZOE-UHFFFAOYSA-N
XLogP4.88
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide 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 4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 59579855) is 4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)NCC(CC(C)C)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ASXIKCKYNHSZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5OS/c1-12(2)9-15(14-5-6-16(27-10-14)21(22,23)24)11-28-19(30)17-13(3)29-20(31-17)18-25-7-4-8-26-18/h4-8,10,12,15H,9,11H2,1-3H3,(H,28,30).
What are the key properties of 4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 449.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59579855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).