3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one

C15H22N2O2S — CID 90627445

IUPAC3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C15H22N2O2S/c18-14(7-6-12-4-2-1-3-5-12)17-10-13(11-17)19-15-16-8-9-20-15/h8-9,12-13H,1-7,10-11H2
InChIKeyZXBSJDTYLNXLHS-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.09
Rot. Bonds5

About 3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one

3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one (PubChem CID 90627445) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
PubChem CID90627445
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CC(Oc2nccs2)C1
InChIInChI=1S/C15H22N2O2S/c18-14(7-6-12-4-2-1-3-5-12)17-10-13(11-17)19-15-16-8-9-20-15/h8-9,12-13H,1-7,10-11H2
InChIKeyZXBSJDTYLNXLHS-UHFFFAOYSA-N
XLogP3.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one (CID 90627445) is 3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one is O=C(CCC1CCCCC1)N1CC(Oc2nccs2)C1.
What is the InChIKey of 3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one?
The InChIKey is ZXBSJDTYLNXLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-14(7-6-12-4-2-1-3-5-12)17-10-13(11-17)19-15-16-8-9-20-15/h8-9,12-13H,1-7,10-11H2.
What are the key properties of 3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one?
3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one has a molecular weight of 294.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 90627445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).