2-(azetidin-3-yl)-5-phenyl-1,3-thiazole

C12H12N2S — CID 162698247

IUPAC2-(azetidin-3-yl)-5-phenyl-1,3-thiazole
SMILESc1ccc(-c2cnc(C3CNC3)s2)cc1
InChIInChI=1S/C12H12N2S/c1-2-4-9(5-3-1)11-8-14-12(15-11)10-6-13-7-10/h1-5,8,10,13H,6-7H2
InChIKeyCTDBKYZPRCXWIA-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.50
Rot. Bonds2

About 2-(azetidin-3-yl)-5-phenyl-1,3-thiazole

2-(azetidin-3-yl)-5-phenyl-1,3-thiazole (PubChem CID 162698247) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-phenyl-1,3-thiazole
PubChem CID162698247
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name2-(azetidin-3-yl)-5-phenyl-1,3-thiazole
SMILESc1ccc(-c2cnc(C3CNC3)s2)cc1
InChIInChI=1S/C12H12N2S/c1-2-4-9(5-3-1)11-8-14-12(15-11)10-6-13-7-10/h1-5,8,10,13H,6-7H2
InChIKeyCTDBKYZPRCXWIA-UHFFFAOYSA-N
XLogP2.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-phenyl-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-phenyl-1,3-thiazole (CID 162698247) is 2-(azetidin-3-yl)-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-phenyl-1,3-thiazole is c1ccc(-c2cnc(C3CNC3)s2)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-5-phenyl-1,3-thiazole?
The InChIKey is CTDBKYZPRCXWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-2-4-9(5-3-1)11-8-14-12(15-11)10-6-13-7-10/h1-5,8,10,13H,6-7H2.
What are the key properties of 2-(azetidin-3-yl)-5-phenyl-1,3-thiazole?
2-(azetidin-3-yl)-5-phenyl-1,3-thiazole has a molecular weight of 216.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-phenyl-1,3-thiazole is sourced from PubChem (CID 162698247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).