2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole

C7H9IN2S — CID 130621956

IUPAC2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole
SMILESIc1cnc(CN2CCC2)s1
InChIInChI=1S/C7H9IN2S/c8-6-4-9-7(11-6)5-10-2-1-3-10/h4H,1-3,5H2
InChIKeyUFXYTJVNSUFLIO-UHFFFAOYSA-N
MW280.13 g/mol
LogP1.95
Rot. Bonds2

About 2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole

2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole (PubChem CID 130621956) has the molecular formula C7H9IN2S and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole
PubChem CID130621956
Molecular FormulaC7H9IN2S
Molecular Weight280.13 g/mol
Exact Mass279.95
IUPAC Name2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole
SMILESIc1cnc(CN2CCC2)s1
InChIInChI=1S/C7H9IN2S/c8-6-4-9-7(11-6)5-10-2-1-3-10/h4H,1-3,5H2
InChIKeyUFXYTJVNSUFLIO-UHFFFAOYSA-N
XLogP1.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole?
The IUPAC name of 2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole (CID 130621956) is 2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole is Ic1cnc(CN2CCC2)s1.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole?
The InChIKey is UFXYTJVNSUFLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2S/c8-6-4-9-7(11-6)5-10-2-1-3-10/h4H,1-3,5H2.
What are the key properties of 2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole?
2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole has a molecular weight of 280.13 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)-5-iodo-1,3-thiazole is sourced from PubChem (CID 130621956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).