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

C10H11N5OS — CID 116590674

IUPAC1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H11N5OS/c16-10(1-8-4-12-6-17-8)9-5-15(14-13-9)7-2-11-3-7/h4-7,11H,1-3H2
InChIKeyKQFQDWNKBVLSDN-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.30
Rot. Bonds4

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

1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 116590674) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone
PubChem CID116590674
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H11N5OS/c16-10(1-8-4-12-6-17-8)9-5-15(14-13-9)7-2-11-3-7/h4-7,11H,1-3H2
InChIKeyKQFQDWNKBVLSDN-UHFFFAOYSA-N
XLogP0.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(azetidin-3-yl)triazol-4-yl]-2-(4-fluorophenyl)ethanone
CID 116590597
1-[1-(azetidin-3-yl)triazol-4-yl]-2-thiophen-3-ylethanone
CID 116590713
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116590634
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(3,4-difluorophenyl)ethanone
CID 116590732
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(2,4-difluorophenyl)ethanone
CID 116590710
1-[1-(azetidin-3-yl)triazol-4-yl]-3-ethylpentan-1-one
CID 116590705
2-(2-amino-3-pyridinyl)-1-[1-(azetidin-3-yl)triazol-4-yl]ethanone
CID 116590781
1-[1-(azetidin-3-yl)triazol-4-yl]hex-5-en-1-one
CID 116590695
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 116590617
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
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690

Frequently Asked Questions

What is the IUPAC name of 1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone (CID 116590674) is 1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is KQFQDWNKBVLSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c16-10(1-8-4-12-6-17-8)9-5-15(14-13-9)7-2-11-3-7/h4-7,11H,1-3H2.
What are the key properties of 1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone?
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 249.30 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 116590674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).