[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone

C23H23F5N6OS — CID 130342075

About [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone

[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone (PubChem CID 130342075) has the molecular formula C23H23F5N6OS and a molecular weight of 526.54 g/mol. Its IUPAC name is [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone
• PubChem CID: 130342075
• Molecular Formula: C23H23F5N6OS
• Molecular Weight: 526.54 g/mol
• Exact Mass: 526.16
• IUPAC Name: [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone
• SMILES: Cc1ccc(-c2sc(C)nc2C(=O)N2CC(F)(F)C[C@@H](C)C2CNc2cnc(C(F)(F)F)cn2)nc1
• InChI: InChI=1S/C23H23F5N6OS/c1-12-4-5-15(29-7-12)20-19(33-14(3)36-20)21(35)34-11-22(24,25)6-13(2)16(34)8-31-18-10-30-17(9-32-18)23(26,27)28/h4-5,7,9-10,13,16H,6,8,11H2,1-3H3,(H,31,32)/t13-,16?/m1/s1
• InChIKey: IUISVXBOIJCNJF-JBZHPUCOSA-N
• XLogP: 5.23
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.54
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone?

The IUPAC name of [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone (CID 130342075) is [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone.

What is the SMILES notation for [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone?

The canonical SMILES for [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone is Cc1ccc(-c2sc(C)nc2C(=O)N2CC(F)(F)C[C@@H](C)C2CNc2cnc(C(F)(F)F)cn2)nc1.

What is the InChIKey of [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone?

The InChIKey is IUISVXBOIJCNJF-JBZHPUCOSA-N. The full InChI is InChI=1S/C23H23F5N6OS/c1-12-4-5-15(29-7-12)20-19(33-14(3)36-20)21(35)34-11-22(24,25)6-13(2)16(34)8-31-18-10-30-17(9-32-18)23(26,27)28/h4-5,7,9-10,13,16H,6,8,11H2,1-3H3,(H,31,32)/t13-,16?/m1/s1.

What are the key properties of [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone?

[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 526.54 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 130342075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).