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

C18H12Cl2F3N5O3S — CID 148793394

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

2-[4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 148793394) has the molecular formula C18H12Cl2F3N5O3S and a molecular weight of 506.29 g/mol. Its IUPAC name is 2-[4-(5-chloro-6-oxo-1H-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-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 148793394
• Molecular Formula: C18H12Cl2F3N5O3S
• Molecular Weight: 506.29 g/mol
• Exact Mass: 505.00
• IUPAC Name: 2-[4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
• SMILES: CC(CC(=O)c1nc[nH]c(=O)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
• InChI: InChI=1S/C18H12Cl2F3N5O3S/c1-7(2-10(29)14-13(20)16(31)27-6-26-14)17-25-5-11(32-17)15(30)28-12-3-8(18(21,22)23)9(19)4-24-12/h3-7H,2H2,1H3,(H,24,28,30)(H,26,27,31)
• InChIKey: OMPWCNFZNBSLES-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 117.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.29
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-6-oxo-1H-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-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 148793394) is 2-[4-(5-chloro-6-oxo-1H-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-(5-chloro-6-oxo-1H-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-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is CC(CC(=O)c1nc[nH]c(=O)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.

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

The InChIKey is OMPWCNFZNBSLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N5O3S/c1-7(2-10(29)14-13(20)16(31)27-6-26-14)17-25-5-11(32-17)15(30)28-12-3-8(18(21,22)23)9(19)4-24-12/h3-7H,2H2,1H3,(H,24,28,30)(H,26,27,31).

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

2-[4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 506.29 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 148793394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).