4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole

C11H11N3S — CID 116888611

IUPAC4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2nc(C3CNC3)cs2)nc1
InChIInChI=1S/C11H11N3S/c1-2-4-13-9(3-1)11-14-10(7-15-11)8-5-12-6-8/h1-4,7-8,12H,5-6H2
InChIKeyAJEIARSWSXBQSG-UHFFFAOYSA-N
MW217.30 g/mol
LogP1.89
Rot. Bonds2

About 4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole

4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole (PubChem CID 116888611) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole
PubChem CID116888611
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2nc(C3CNC3)cs2)nc1
InChIInChI=1S/C11H11N3S/c1-2-4-13-9(3-1)11-14-10(7-15-11)8-5-12-6-8/h1-4,7-8,12H,5-6H2
InChIKeyAJEIARSWSXBQSG-UHFFFAOYSA-N
XLogP1.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole (CID 116888611) is 4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole is c1ccc(-c2nc(C3CNC3)cs2)nc1.
What is the InChIKey of 4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is AJEIARSWSXBQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-2-4-13-9(3-1)11-14-10(7-15-11)8-5-12-6-8/h1-4,7-8,12H,5-6H2.
What are the key properties of 4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole?
4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 217.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 116888611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).