N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide

C24H19ClF3N5O2S — CID 159869617

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 159869617) has the molecular formula C24H19ClF3N5O2S and a molecular weight of 533.96 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
• PubChem CID: 159869617
• Molecular Formula: C24H19ClF3N5O2S
• Molecular Weight: 533.96 g/mol
• Exact Mass: 533.09
• IUPAC Name: N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1c(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)cnn1-c1ccccc1
• InChI: InChI=1S/C24H19ClF3N5O2S/c1-13(8-19(34)16-10-31-33(14(16)2)15-6-4-3-5-7-15)23-30-12-20(36-23)22(35)32-21-9-17(24(26,27)28)18(25)11-29-21/h3-7,9-13H,8H2,1-2H3,(H,29,32,35)/t13-/m0/s1
• InChIKey: NSECIVJAYQMSGQ-ZDUSSCGKSA-N
• XLogP: 6.33
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.96
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide (CID 159869617) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide is Cc1c(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)cnn1-c1ccccc1.

What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is NSECIVJAYQMSGQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H19ClF3N5O2S/c1-13(8-19(34)16-10-31-33(14(16)2)15-6-4-3-5-7-15)23-30-12-20(36-23)22(35)32-21-9-17(24(26,27)28)18(25)11-29-21/h3-7,9-13H,8H2,1-2H3,(H,29,32,35)/t13-/m0/s1.

What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 533.96 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 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-[(2S)-4-(5-methyl-1-phenylpyrazol-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159869617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).