5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole

C8H12N2S — CID 112645456

IUPAC5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole
SMILESCC1(Cc2cncs2)CNC1
InChIInChI=1S/C8H12N2S/c1-8(4-10-5-8)2-7-3-9-6-11-7/h3,6,10H,2,4-5H2,1H3
InChIKeyNBQYHRBTFRGQIZ-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.30
Rot. Bonds2

About 5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole

5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole (PubChem CID 112645456) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole
PubChem CID112645456
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole
SMILESCC1(Cc2cncs2)CNC1
InChIInChI=1S/C8H12N2S/c1-8(4-10-5-8)2-7-3-9-6-11-7/h3,6,10H,2,4-5H2,1H3
InChIKeyNBQYHRBTFRGQIZ-UHFFFAOYSA-N
XLogP1.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole (CID 112645456) is 5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole is CC1(Cc2cncs2)CNC1.
What is the InChIKey of 5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole?
The InChIKey is NBQYHRBTFRGQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-8(4-10-5-8)2-7-3-9-6-11-7/h3,6,10H,2,4-5H2,1H3.
What are the key properties of 5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole?
5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole has a molecular weight of 168.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112645456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).