(2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

C12H14N4O2S — CID 86265065

IUPAC(2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC(Oc3nccs3)C2)n(C)n1
InChIInChI=1S/C12H14N4O2S/c1-8-5-10(15(2)14-8)11(17)16-6-9(7-16)18-12-13-3-4-19-12/h3-5,9H,6-7H2,1-2H3
InChIKeyVKZWMSAHDTXCLW-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.09
Rot. Bonds3

About (2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (PubChem CID 86265065) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
PubChem CID86265065
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC(Oc3nccs3)C2)n(C)n1
InChIInChI=1S/C12H14N4O2S/c1-8-5-10(15(2)14-8)11(17)16-6-9(7-16)18-12-13-3-4-19-12/h3-5,9H,6-7H2,1-2H3
InChIKeyVKZWMSAHDTXCLW-UHFFFAOYSA-N
XLogP1.09
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (CID 86265065) is (2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is Cc1cc(C(=O)N2CC(Oc3nccs3)C2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The InChIKey is VKZWMSAHDTXCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-5-10(15(2)14-8)11(17)16-6-9(7-16)18-12-13-3-4-19-12/h3-5,9H,6-7H2,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone has a molecular weight of 278.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is sourced from PubChem (CID 86265065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).