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

C23H15Cl2F3N6O2S — CID 146733689

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

2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 146733689) has the molecular formula C23H15Cl2F3N6O2S and a molecular weight of 567.38 g/mol. Its IUPAC name is 2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 146733689
• Molecular Formula: C23H15Cl2F3N6O2S
• Molecular Weight: 567.38 g/mol
• Exact Mass: 566.03
• IUPAC Name: 2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
• SMILES: CC(CC(=O)c1cc(-c2ccc(Cl)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
• InChI: InChI=1S/C23H15Cl2F3N6O2S/c1-11(4-17(35)16-6-15(32-10-33-16)12-2-3-19(25)29-7-12)22-31-9-18(37-22)21(36)34-20-5-13(23(26,27)28)14(24)8-30-20/h2-3,5-11H,4H2,1H3,(H,30,34,36)
• InChIKey: RIRBRANNAZZBBB-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 110.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.38
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 146733689) is 2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is CC(CC(=O)c1cc(-c2ccc(Cl)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.

What is the InChIKey of 2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?

The InChIKey is RIRBRANNAZZBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F3N6O2S/c1-11(4-17(35)16-6-15(32-10-33-16)12-2-3-19(25)29-7-12)22-31-9-18(37-22)21(36)34-20-5-13(23(26,27)28)14(24)8-30-20/h2-3,5-11H,4H2,1H3,(H,30,34,36).

What are the key properties of 2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?

2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 567.38 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146733689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).