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

C12H11F3N4O2S — CID 58712238

IUPACN-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(Nc2cc(C)nc(C(F)(F)F)c2)s[nH]c1=O
InChIInChI=1S/C12H11F3N4O2S/c1-5-3-6(4-7(17-5)12(13,14)15)18-11-8(9(20)16-2)10(21)19-22-11/h3-4H,1-2H3,(H,16,20)(H,17,18)(H,19,21)
InChIKeyFQFHKAFAYXRZFG-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.26
Rot. Bonds3

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

N-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide (PubChem CID 58712238) has the molecular formula C12H11F3N4O2S and a molecular weight of 332.31 g/mol. Its IUPAC name is N-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide
PubChem CID58712238
Molecular FormulaC12H11F3N4O2S
Molecular Weight332.31 g/mol
Exact Mass332.06
IUPAC NameN-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(Nc2cc(C)nc(C(F)(F)F)c2)s[nH]c1=O
InChIInChI=1S/C12H11F3N4O2S/c1-5-3-6(4-7(17-5)12(13,14)15)18-11-8(9(20)16-2)10(21)19-22-11/h3-4H,1-2H3,(H,16,20)(H,17,18)(H,19,21)
InChIKeyFQFHKAFAYXRZFG-UHFFFAOYSA-N
XLogP2.26
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide?
The IUPAC name of N-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide (CID 58712238) is N-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide is CNC(=O)c1c(Nc2cc(C)nc(C(F)(F)F)c2)s[nH]c1=O.
What is the InChIKey of N-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide?
The InChIKey is FQFHKAFAYXRZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2S/c1-5-3-6(4-7(17-5)12(13,14)15)18-11-8(9(20)16-2)10(21)19-22-11/h3-4H,1-2H3,(H,16,20)(H,17,18)(H,19,21).
What are the key properties of N-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide?
N-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide has a molecular weight of 332.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 58712238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).