2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole

C12H16N4O3S2 — CID 73168906

IUPAC2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
SMILESCC(C)n1cnc(S(=O)(=O)N2CC(Oc3nccs3)C2)c1
InChIInChI=1S/C12H16N4O3S2/c1-9(2)15-7-11(14-8-15)21(17,18)16-5-10(6-16)19-12-13-3-4-20-12/h3-4,7-10H,5-6H2,1-2H3
InChIKeyPDOSATHLBGWXKL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.37
Rot. Bonds5

About 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole

2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole (PubChem CID 73168906) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
PubChem CID73168906
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC Name2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
SMILESCC(C)n1cnc(S(=O)(=O)N2CC(Oc3nccs3)C2)c1
InChIInChI=1S/C12H16N4O3S2/c1-9(2)15-7-11(14-8-15)21(17,18)16-5-10(6-16)19-12-13-3-4-20-12/h3-4,7-10H,5-6H2,1-2H3
InChIKeyPDOSATHLBGWXKL-UHFFFAOYSA-N
XLogP1.37
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole (CID 73168906) is 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole is CC(C)n1cnc(S(=O)(=O)N2CC(Oc3nccs3)C2)c1.
What is the InChIKey of 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
The InChIKey is PDOSATHLBGWXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c1-9(2)15-7-11(14-8-15)21(17,18)16-5-10(6-16)19-12-13-3-4-20-12/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole?
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole has a molecular weight of 328.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 73168906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).