5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide

C12H8F6N4O2S — CID 58712442

IUPAC5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(Nc2cc(C(F)(F)F)nc(C(F)(F)F)c2)s[nH]c1=O
InChIInChI=1S/C12H8F6N4O2S/c1-19-8(23)7-9(24)22-25-10(7)20-4-2-5(11(13,14)15)21-6(3-4)12(16,17)18/h2-3H,1H3,(H,19,23)(H,20,21)(H,22,24)
InChIKeyKKNSCOZQBAAXEH-UHFFFAOYSA-N
MW386.28 g/mol
LogP2.97
Rot. Bonds3

About 5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide

5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide (PubChem CID 58712442) has the molecular formula C12H8F6N4O2S and a molecular weight of 386.28 g/mol. Its IUPAC name is 5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide
PubChem CID58712442
Molecular FormulaC12H8F6N4O2S
Molecular Weight386.28 g/mol
Exact Mass386.03
IUPAC Name5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(Nc2cc(C(F)(F)F)nc(C(F)(F)F)c2)s[nH]c1=O
InChIInChI=1S/C12H8F6N4O2S/c1-19-8(23)7-9(24)22-25-10(7)20-4-2-5(11(13,14)15)21-6(3-4)12(16,17)18/h2-3H,1H3,(H,19,23)(H,20,21)(H,22,24)
InChIKeyKKNSCOZQBAAXEH-UHFFFAOYSA-N
XLogP2.97
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide (CID 58712442) is 5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide is CNC(=O)c1c(Nc2cc(C(F)(F)F)nc(C(F)(F)F)c2)s[nH]c1=O.
What is the InChIKey of 5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide?
The InChIKey is KKNSCOZQBAAXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N4O2S/c1-19-8(23)7-9(24)22-25-10(7)20-4-2-5(11(13,14)15)21-6(3-4)12(16,17)18/h2-3H,1H3,(H,19,23)(H,20,21)(H,22,24).
What are the key properties of 5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide?
5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide has a molecular weight of 386.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-3-oxo-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 58712442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).