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

C23H24ClF3N8O3S — CID 25160403

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

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 25160403) has the molecular formula C23H24ClF3N8O3S and a molecular weight of 585.01 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 25160403
• Molecular Formula: C23H24ClF3N8O3S
• Molecular Weight: 585.01 g/mol
• Exact Mass: 584.13
• IUPAC Name: N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
• SMILES: C[C@@H](NC(=O)c1cc(N2CCN(CCO)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
• InChI: InChI=1S/C23H24ClF3N8O3S/c1-13(32-20(37)16-9-19(31-12-30-16)35-4-2-34(3-5-35)6-7-36)22-29-11-17(39-22)21(38)33-18-8-14(23(25,26)27)15(24)10-28-18/h8-13,36H,2-7H2,1H3,(H,32,37)(H,28,33,38)/t13-/m1/s1
• InChIKey: NHILHQYWHJQNND-CYBMUJFWSA-N
• XLogP: 2.86
• 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	585.01
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 25160403) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is C[C@@H](NC(=O)c1cc(N2CCN(CCO)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-[(1R)-1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is NHILHQYWHJQNND-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H24ClF3N8O3S/c1-13(32-20(37)16-9-19(31-12-30-16)35-4-2-34(3-5-35)6-7-36)22-29-11-17(39-22)21(38)33-18-8-14(23(25,26)27)15(24)10-28-18/h8-13,36H,2-7H2,1H3,(H,32,37)(H,28,33,38)/t13-/m1/s1.

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

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 585.01 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25160403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).