3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-N-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,2-thiazole-4-carboxamide

C22H22F6N8OS — CID 118285065

About 3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-N-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,2-thiazole-4-carboxamide

3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-N-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,2-thiazole-4-carboxamide (PubChem CID 118285065) has the molecular formula C22H22F6N8OS and a molecular weight of 560.53 g/mol. Its IUPAC name is 3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-N-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-N-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,2-thiazole-4-carboxamide
• PubChem CID: 118285065
• Molecular Formula: C22H22F6N8OS
• Molecular Weight: 560.53 g/mol
• Exact Mass: 560.15
• IUPAC Name: 3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-N-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,2-thiazole-4-carboxamide
• SMILES: Cc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(N2CCN(CCC(F)(F)F)CC2)nc1
• InChI: InChI=1S/C22H22F6N8OS/c1-13-18(20(38-34-13)33-16-12-29-15(11-30-16)22(26,27)28)19(37)32-14-2-3-17(31-10-14)36-8-6-35(7-9-36)5-4-21(23,24)25/h2-3,10-12H,4-9H2,1H3,(H,30,33)(H,32,37)
• InChIKey: QDFRBTZXIRODRK-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 99.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.53
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-N-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,2-thiazole-4-carboxamide (CID 118285065) is 3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-N-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,2-thiazole-4-carboxamide.

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

The canonical SMILES for 3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-N-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(N2CCN(CCC(F)(F)F)CC2)nc1.

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

The InChIKey is QDFRBTZXIRODRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N8OS/c1-13-18(20(38-34-13)33-16-12-29-15(11-30-16)22(26,27)28)19(37)32-14-2-3-17(31-10-14)36-8-6-35(7-9-36)5-4-21(23,24)25/h2-3,10-12H,4-9H2,1H3,(H,30,33)(H,32,37).

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

3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-N-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,2-thiazole-4-carboxamide has a molecular weight of 560.53 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-N-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-3-pyridinyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118285065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).