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

C15H11F3N6O2S — CID 123236276

IUPAC3-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
InChIInChI=1S/C15H11F3N6O2S/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/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26)
InChIKeyRGOFARXVMZCOMP-UHFFFAOYSA-N
MW396.35 g/mol
LogP2.94
Rot. Bonds4

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

3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 123236276) has the molecular formula C15H11F3N6O2S and a molecular weight of 396.35 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.

Molecular Properties

Compound Name3-methyl-N-(6-oxo-1H-pyridin-3-yl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
PubChem CID123236276
Molecular FormulaC15H11F3N6O2S
Molecular Weight396.35 g/mol
Exact Mass396.06
IUPAC Name3-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
InChIInChI=1S/C15H11F3N6O2S/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/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26)
InChIKeyRGOFARXVMZCOMP-UHFFFAOYSA-N
XLogP2.94
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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?
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 (CID 123236276) is 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 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 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.
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?
The InChIKey is RGOFARXVMZCOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2S/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/h2-6H,1H3,(H,20,23)(H,21,25)(H,22,26).
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?
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 396.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 123236276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).