4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C23H22F3N5O2S — CID 66661137

IUPAC4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CC(C)N(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)NCc1ccccn1
InChIInChI=1S/C23H22F3N5O2S/c1-14-12-31(22(33)30(14)13-16-6-8-17(9-7-16)23(24,25)26)21-29-15(2)19(34-21)20(32)28-11-18-5-3-4-10-27-18/h3-10,14H,11-13H2,1-2H3,(H,28,32)
InChIKeyXNPGKQXOOQNARP-UHFFFAOYSA-N
MW489.52 g/mol
LogP4.63
Rot. Bonds6

About 4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 66661137) has the molecular formula C23H22F3N5O2S and a molecular weight of 489.52 g/mol. Its IUPAC name is 4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID66661137
Molecular FormulaC23H22F3N5O2S
Molecular Weight489.52 g/mol
Exact Mass489.14
IUPAC Name4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CC(C)N(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)NCc1ccccn1
InChIInChI=1S/C23H22F3N5O2S/c1-14-12-31(22(33)30(14)13-16-6-8-17(9-7-16)23(24,25)26)21-29-15(2)19(34-21)20(32)28-11-18-5-3-4-10-27-18/h3-10,14H,11-13H2,1-2H3,(H,28,32)
InChIKeyXNPGKQXOOQNARP-UHFFFAOYSA-N
XLogP4.63
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[3-(4-fluorophenyl)-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 58031500
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyrimidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481213
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
4-methyl-N-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387086
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481201
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 5008223
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 1280635
2-(3,4-dimethylphenyl)-3,5-dioxo-N-(pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxamide
CID 46004563
N-benzyl-2-[3-[(4-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 59481262
2-(2-methoxyethylamino)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048761
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 59481197

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 66661137) is 4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(N2CC(C)N(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)NCc1ccccn1.
What is the InChIKey of 4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XNPGKQXOOQNARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2S/c1-14-12-31(22(33)30(14)13-16-6-8-17(9-7-16)23(24,25)26)21-29-15(2)19(34-21)20(32)28-11-18-5-3-4-10-27-18/h3-10,14H,11-13H2,1-2H3,(H,28,32).
What are the key properties of 4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 489.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66661137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).