[1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C10H8F3N5OS — CID 106784744

IUPAC[1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cn(C2CNC2)nn1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H8F3N5OS/c11-10(12,13)9-15-3-7(20-9)8(19)6-4-18(17-16-6)5-1-14-2-5/h3-5,14H,1-2H2
InChIKeyLQETYOQUMBHNPL-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.13
Rot. Bonds3

About [1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

[1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106784744) has the molecular formula C10H8F3N5OS and a molecular weight of 303.27 g/mol. Its IUPAC name is [1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106784744
Molecular FormulaC10H8F3N5OS
Molecular Weight303.27 g/mol
Exact Mass303.04
IUPAC Name[1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cn(C2CNC2)nn1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H8F3N5OS/c11-10(12,13)9-15-3-7(20-9)8(19)6-4-18(17-16-6)5-1-14-2-5/h3-5,14H,1-2H2
InChIKeyLQETYOQUMBHNPL-UHFFFAOYSA-N
XLogP1.13
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106784744) is [1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cn(C2CNC2)nn1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of [1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is LQETYOQUMBHNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5OS/c11-10(12,13)9-15-3-7(20-9)8(19)6-4-18(17-16-6)5-1-14-2-5/h3-5,14H,1-2H2.
What are the key properties of [1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
[1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 303.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)triazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106784744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).