N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide

C24H24F5N7O2S — CID 118279311

About N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide

N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 118279311) has the molecular formula C24H24F5N7O2S and a molecular weight of 569.56 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
• PubChem CID: 118279311
• Molecular Formula: C24H24F5N7O2S
• Molecular Weight: 569.56 g/mol
• Exact Mass: 569.16
• IUPAC Name: N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
• SMILES: Cc1nsc(Nc2cnc(C(=O)NC3CCN(CCC(F)(F)F)CC3)cn2)c1C(=O)Nc1ccc(F)c(F)c1
• InChI: InChI=1S/C24H24F5N7O2S/c1-13-20(22(38)33-15-2-3-16(25)17(26)10-15)23(39-35-13)34-19-12-30-18(11-31-19)21(37)32-14-4-7-36(8-5-14)9-6-24(27,28)29/h2-3,10-12,14H,4-9H2,1H3,(H,31,34)(H,32,37)(H,33,38)
• InChIKey: SPWSKNCDYGNGBF-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 112.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.56
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?

The IUPAC name of N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (CID 118279311) is N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.

What is the SMILES notation for N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?

The canonical SMILES for N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2cnc(C(=O)NC3CCN(CCC(F)(F)F)CC3)cn2)c1C(=O)Nc1ccc(F)c(F)c1.

What is the InChIKey of N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?

The InChIKey is SPWSKNCDYGNGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N7O2S/c1-13-20(22(38)33-15-2-3-16(25)17(26)10-15)23(39-35-13)34-19-12-30-18(11-31-19)21(37)32-14-4-7-36(8-5-14)9-6-24(27,28)29/h2-3,10-12,14H,4-9H2,1H3,(H,31,34)(H,32,37)(H,33,38).

What are the key properties of N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?

N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 569.56 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-3-methyl-5-[[5-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]carbamoyl]pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118279311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).