2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole

C6H10N2S — CID 23225616

IUPAC2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESC1CN(C2=NCCS2)C1
InChIInChI=1S/C6H10N2S/c1-3-8(4-1)6-7-2-5-9-6/h1-5H2
InChIKeyGSZRSFBJOIKVQA-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.79
Rot. Bonds

About 2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole

2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 23225616) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID23225616
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESC1CN(C2=NCCS2)C1
InChIInChI=1S/C6H10N2S/c1-3-8(4-1)6-7-2-5-9-6/h1-5H2
InChIKeyGSZRSFBJOIKVQA-UHFFFAOYSA-N
XLogP0.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole (CID 23225616) is 2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole is C1CN(C2=NCCS2)C1.
What is the InChIKey of 2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is GSZRSFBJOIKVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-3-8(4-1)6-7-2-5-9-6/h1-5H2.
What are the key properties of 2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole?
2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 142.23 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 23225616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).