N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide

C20H20ClF3N6O2S — CID 77453797

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)n1CC
InChIInChI=1S/C20H20ClF3N6O2S/c1-4-16-26-8-13(30(16)5-2)17(31)28-10(3)19-27-9-14(33-19)18(32)29-15-6-11(20(22,23)24)12(21)7-25-15/h6-10H,4-5H2,1-3H3,(H,28,31)(H,25,29,32)
InChIKeyMZRSNRZUBVJMOT-UHFFFAOYSA-N
MW500.93 g/mol
LogP4.73
Rot. Bonds7

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 77453797) has the molecular formula C20H20ClF3N6O2S and a molecular weight of 500.93 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID77453797
Molecular FormulaC20H20ClF3N6O2S
Molecular Weight500.93 g/mol
Exact Mass500.10
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)n1CC
InChIInChI=1S/C20H20ClF3N6O2S/c1-4-16-26-8-13(30(16)5-2)17(31)28-10(3)19-27-9-14(33-19)18(32)29-15-6-11(20(22,23)24)12(21)7-25-15/h6-10H,4-5H2,1-3H3,(H,28,31)(H,25,29,32)
InChIKeyMZRSNRZUBVJMOT-UHFFFAOYSA-N
XLogP4.73
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.93
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 70871825
4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide
CID 76568912
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[2-(2-pyrrolidin-1-ylethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 88579111
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-formylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 129090581
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 89433948
2-[1-(1-benzothiophene-5-carbonylamino)ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 77453971
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[(7-methylpyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25151251
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-[[2-(methylamino)-2-oxoethyl]amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 129211883
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(1-pyridin-4-ylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 77453792
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[3-methyl-2-(methylamino)imidazol-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 159455849
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25160535
N-[5-chloro-4-(1,1-difluoropropyl)-2-pyridinyl]-2-[1-[(6-pyrazol-1-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 139564966

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 77453797) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)n1CC.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MZRSNRZUBVJMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N6O2S/c1-4-16-26-8-13(30(16)5-2)17(31)28-10(3)19-27-9-14(33-19)18(32)29-15-6-11(20(22,23)24)12(21)7-25-15/h6-10H,4-5H2,1-3H3,(H,28,31)(H,25,29,32).
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 500.93 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(2,3-diethylimidazole-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 77453797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).