N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C12H11F3N4O2S — CID 138005061

IUPACN-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cc2n(n1)CCCO2)c1scnc1C(F)(F)F
InChIInChI=1S/C12H11F3N4O2S/c13-12(14,15)10-9(22-6-17-10)11(20)16-5-7-4-8-19(18-7)2-1-3-21-8/h4,6H,1-3,5H2,(H,16,20)
InChIKeyIRJVFJXUSXIYOI-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.07
Rot. Bonds3

About N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 138005061) has the molecular formula C12H11F3N4O2S and a molecular weight of 332.31 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID138005061
Molecular FormulaC12H11F3N4O2S
Molecular Weight332.31 g/mol
Exact Mass332.06
IUPAC NameN-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cc2n(n1)CCCO2)c1scnc1C(F)(F)F
InChIInChI=1S/C12H11F3N4O2S/c13-12(14,15)10-9(22-6-17-10)11(20)16-5-7-4-8-19(18-7)2-1-3-21-8/h4,6H,1-3,5H2,(H,16,20)
InChIKeyIRJVFJXUSXIYOI-UHFFFAOYSA-N
XLogP2.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-fluoroacetamide
CID 166427796
N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1-ethyl-6-oxopyridazine-3-carboxamide
CID 138005055
5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 154763220
N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558309
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 154842826
azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 84556923
N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558434
N-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554062
N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine;2,2,2-trifluoroacetic acid
CID 166302757
3-chloro-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-5-fluorobenzenesulfonamide
CID 167909551
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959259
4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 118773964

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 138005061) is N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(NCc1cc2n(n1)CCCO2)c1scnc1C(F)(F)F.
What is the InChIKey of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is IRJVFJXUSXIYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2S/c13-12(14,15)10-9(22-6-17-10)11(20)16-5-7-4-8-19(18-7)2-1-3-21-8/h4,6H,1-3,5H2,(H,16,20).
What are the key properties of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 332.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 138005061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).