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

C21H21F6N7O2S — CID 144895101

IUPAC3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(=O)[nH]c1.FC(F)(F)CN1CCCC1
InChIInChI=1S/C15H11F3N6O2S.C6H10F3N/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;7-6(8,9)5-10-3-1-2-4-10/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26);1-5H2
InChIKeyCQRUBIAQQOLCBH-UHFFFAOYSA-N
MW549.50 g/mol
LogP4.59
Rot. Bonds5

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

3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 144895101) has the molecular formula C21H21F6N7O2S and a molecular weight of 549.50 g/mol. Its IUPAC name is 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID144895101
Molecular FormulaC21H21F6N7O2S
Molecular Weight549.50 g/mol
Exact Mass549.14
IUPAC Name3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(=O)[nH]c1.FC(F)(F)CN1CCCC1
InChIInChI=1S/C15H11F3N6O2S.C6H10F3N/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;7-6(8,9)5-10-3-1-2-4-10/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26);1-5H2
InChIKeyCQRUBIAQQOLCBH-UHFFFAOYSA-N
XLogP4.59
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.50
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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(3-Imidazol-1-ylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
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[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 56779735
N-[6-[(3S,4S)-3-fluoro-1-propylpiperidin-4-yl]oxy-1,2-dihydropyridin-3-yl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118698930
3-methyl-N-[6-[3-[methyl(2,2,2-trifluoroethyl)amino]propoxy]-1,2-dihydropyridin-3-yl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
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3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
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3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-propylpiperidine
CID 144895062
N,3-dimethyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;ethane
CID 144895070
3-Methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 144895075
1-butylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 144895092
1-ethylpiperidine;3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 144895113

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine (CID 144895101) is 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine is Cc1nsc(Nc2cnc(C(F)(F)F)cn2)c1C(=O)Nc1ccc(=O)[nH]c1.FC(F)(F)CN1CCCC1.
What is the InChIKey of 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is CQRUBIAQQOLCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2S.C6H10F3N/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;7-6(8,9)5-10-3-1-2-4-10/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26);1-5H2.
What are the key properties of 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine?
3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 549.50 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide;1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 144895101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).