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

C23H22F7N7O2S — CID 118284821

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

N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 118284821) has the molecular formula C23H22F7N7O2S and a molecular weight of 593.53 g/mol. Its IUPAC name is N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
• PubChem CID: 118284821
• Molecular Formula: C23H22F7N7O2S
• Molecular Weight: 593.53 g/mol
• Exact Mass: 593.14
• IUPAC Name: N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
• SMILES: Cc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(OCC2CCN(CC(F)F)CC2(F)F)nc1
• InChI: InChI=1S/C23H22F7N7O2S/c1-12-19(21(40-36-12)35-17-8-31-15(7-32-17)23(28,29)30)20(38)34-14-2-3-18(33-6-14)39-10-13-4-5-37(9-16(24)25)11-22(13,26)27/h2-3,6-8,13,16H,4-5,9-11H2,1H3,(H,32,35)(H,34,38)
• InChIKey: PMRQAXAKVKGFAS-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 105.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.53
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (CID 118284821) is N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.

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

The canonical SMILES for N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(OCC2CCN(CC(F)F)CC2(F)F)nc1.

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

The InChIKey is PMRQAXAKVKGFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F7N7O2S/c1-12-19(21(40-36-12)35-17-8-31-15(7-32-17)23(28,29)30)20(38)34-14-2-3-18(33-6-14)39-10-13-4-5-37(9-16(24)25)11-22(13,26)27/h2-3,6-8,13,16H,4-5,9-11H2,1H3,(H,32,35)(H,34,38).

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

N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 593.53 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[1-(2,2-difluoroethyl)-3,3-difluoropiperidin-4-yl]methoxy]-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118284821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).