1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide

C22H24F5N7O2S — CID 144895115

IUPAC1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(=O)[nH]c1.FC(F)CN1CCCCC1
InChIInChI=1S/C15H11F3N6O2S.C7H13F2N/c1-7-12(13(26)22-8-2-3-11(25)21-4-8)14(27-24-7)23-10-6-19-9(5-20-10)15(16,17)18;8-7(9)6-10-4-2-1-3-5-10/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26);7H,1-6H2
InChIKeyIQDPLBSXGBJCLT-UHFFFAOYSA-N
MW545.54 g/mol
LogP4.68
Rot. Bonds6

About 1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide

1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 144895115) has the molecular formula C22H24F5N7O2S and a molecular weight of 545.54 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
PubChem CID144895115
Molecular FormulaC22H24F5N7O2S
Molecular Weight545.54 g/mol
Exact Mass545.16
IUPAC Name1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(=O)[nH]c1.FC(F)CN1CCCCC1
InChIInChI=1S/C15H11F3N6O2S.C7H13F2N/c1-7-12(13(26)22-8-2-3-11(25)21-4-8)14(27-24-7)23-10-6-19-9(5-20-10)15(16,17)18;8-7(9)6-10-4-2-1-3-5-10/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26);7H,1-6H2
InChIKeyIQDPLBSXGBJCLT-UHFFFAOYSA-N
XLogP4.68
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.54
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (CID 144895115) is 1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(=O)[nH]c1.FC(F)CN1CCCCC1.
What is the InChIKey of 1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
The InChIKey is IQDPLBSXGBJCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2S.C7H13F2N/c1-7-12(13(26)22-8-2-3-11(25)21-4-8)14(27-24-7)23-10-6-19-9(5-20-10)15(16,17)18;8-7(9)6-10-4-2-1-3-5-10/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26);7H,1-6H2.
What are the key properties of 1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 545.54 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)piperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 144895115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).