2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

C24H27F3N8O3S — CID 89433978

About 2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 89433978) has the molecular formula C24H27F3N8O3S and a molecular weight of 564.59 g/mol. Its IUPAC name is 2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 89433978
• Molecular Formula: C24H27F3N8O3S
• Molecular Weight: 564.59 g/mol
• Exact Mass: 564.19
• IUPAC Name: 2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1cnc(NC(=O)c2cnc(C(C)NC(=O)c3cc(N4CCN(CCO)CC4)ncn3)s2)cc1C(F)(F)F
• InChI: InChI=1S/C24H27F3N8O3S/c1-14-11-28-19(9-16(14)24(25,26)27)33-22(38)18-12-29-23(39-18)15(2)32-21(37)17-10-20(31-13-30-17)35-5-3-34(4-6-35)7-8-36/h9-13,15,36H,3-8H2,1-2H3,(H,32,37)(H,28,33,38)
• InChIKey: FTAGQYNTNQOEJP-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 136.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.59
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 89433978) is 2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is Cc1cnc(NC(=O)c2cnc(C(C)NC(=O)c3cc(N4CCN(CCO)CC4)ncn3)s2)cc1C(F)(F)F.

What is the InChIKey of 2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?

The InChIKey is FTAGQYNTNQOEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N8O3S/c1-14-11-28-19(9-16(14)24(25,26)27)33-22(38)18-12-29-23(39-18)15(2)32-21(37)17-10-20(31-13-30-17)35-5-3-34(4-6-35)7-8-36/h9-13,15,36H,3-8H2,1-2H3,(H,32,37)(H,28,33,38).

What are the key properties of 2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?

2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 564.59 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 89433978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).