[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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Related Compounds

[1-(azetidin-3-yl)triazol-4-yl]-(5-methylthiophen-2-yl)methanone
CID 116590601
azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784725
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
[1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone
CID 116590706
[1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 116590655
1-[1-(azetidin-3-yl)triazol-4-yl]hex-5-en-1-one
CID 116590695
1-[1-(azetidin-3-yl)triazole-4-carbonyl]azetidine-3-carboxylic acid
CID 79327249
[1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883087
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
[1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone
CID 116590778
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-[1-(azetidin-3-yl)triazol-4-yl]-4-ethylsulfonylbutan-1-one
CID 116590659

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).