N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide

C23H20ClF3N6O3S — CID 146812513

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](CC(=O)c1cc(N2CCC(=O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C23H20ClF3N6O3S/c1-12(6-17(35)16-8-20(31-11-30-16)33-4-2-13(34)3-5-33)22-29-10-18(37-22)21(36)32-19-7-14(23(25,26)27)15(24)9-28-19/h7-12H,2-6H2,1H3,(H,28,32,36)/t12-/m0/s1
InChIKeySAKYDVAFMZRDGC-LBPRGKRZSA-N
MW552.97 g/mol
LogP4.80
Rot. Bonds7

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 146812513) has the molecular formula C23H20ClF3N6O3S and a molecular weight of 552.97 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID146812513
Molecular FormulaC23H20ClF3N6O3S
Molecular Weight552.97 g/mol
Exact Mass552.10
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](CC(=O)c1cc(N2CCC(=O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C23H20ClF3N6O3S/c1-12(6-17(35)16-8-20(31-11-30-16)33-4-2-13(34)3-5-33)22-29-10-18(37-22)21(36)32-19-7-14(23(25,26)27)15(24)9-28-19/h7-12H,2-6H2,1H3,(H,28,32,36)/t12-/m0/s1
InChIKeySAKYDVAFMZRDGC-LBPRGKRZSA-N
XLogP4.80
TPSA118.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.97
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

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6-(4-carbamoylpiperidin-1-yl)-5-chloro-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)nicotinamide
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2-(N-benzhydryl-C-methylcarbonimidoyl)-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide
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2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
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N-(5-chloro-2-pyridinyl)-2-(3,4-difluorophenyl)-5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-4-carboxamide
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N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1S)-1-[(7-methylpyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
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N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[(9-methylpurine-6-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25152418
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[(7-methylpurine-6-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25152419
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-[(6-methyl-8-oxo-7,9-dihydro-5H-pyrimido[4,5-e][1,4]diazepine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
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N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-[(8-oxo-5,6,7,9-tetrahydropyrimido[4,5-b]azepine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25152614
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[(6,7-dimethylpyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (CID 146812513) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide is C[C@@H](CC(=O)c1cc(N2CCC(=O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is SAKYDVAFMZRDGC-LBPRGKRZSA-N. The full InChI is InChI=1S/C23H20ClF3N6O3S/c1-12(6-17(35)16-8-20(31-11-30-16)33-4-2-13(34)3-5-33)22-29-10-18(37-22)21(36)32-19-7-14(23(25,26)27)15(24)9-28-19/h7-12H,2-6H2,1H3,(H,28,32,36)/t12-/m0/s1.
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 552.97 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(4-oxopiperidin-1-yl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146812513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).