5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole

C6H5F2IN2S — CID 162549396

IUPAC5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole
SMILESFC1(F)CN(c2cnc(I)s2)C1
InChIInChI=1S/C6H5F2IN2S/c7-6(8)2-11(3-6)4-1-10-5(9)12-4/h1H,2-3H2
InChIKeyZDMXJRIXZZMSBT-UHFFFAOYSA-N
MW302.09 g/mol
LogP2.20
Rot. Bonds1

About 5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole

5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole (PubChem CID 162549396) has the molecular formula C6H5F2IN2S and a molecular weight of 302.09 g/mol. Its IUPAC name is 5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole.

Molecular Properties

Compound Name5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole
PubChem CID162549396
Molecular FormulaC6H5F2IN2S
Molecular Weight302.09 g/mol
Exact Mass301.92
IUPAC Name5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole
SMILESFC1(F)CN(c2cnc(I)s2)C1
InChIInChI=1S/C6H5F2IN2S/c7-6(8)2-11(3-6)4-1-10-5(9)12-4/h1H,2-3H2
InChIKeyZDMXJRIXZZMSBT-UHFFFAOYSA-N
XLogP2.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-Fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571142
5-(3,3-Difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 143331090
2-[(3-Fluoroazetidin-1-yl)methyl]-1,3-thiazole
CID 130723714
2-[[3-(Difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole
CID 133630334
5-(3,3-Difluoroazetidin-1-yl)-2-methyl-1,3-thiazole
CID 143331091
2-(Azetidin-1-ylmethyl)-5-iodo-1,3-thiazole
CID 130621956

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole?
The IUPAC name of 5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole (CID 162549396) is 5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole.
What is the SMILES notation for 5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole?
The canonical SMILES for 5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole is FC1(F)CN(c2cnc(I)s2)C1.
What is the InChIKey of 5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole?
The InChIKey is ZDMXJRIXZZMSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2IN2S/c7-6(8)2-11(3-6)4-1-10-5(9)12-4/h1H,2-3H2.
What are the key properties of 5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole?
5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole has a molecular weight of 302.09 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoroazetidin-1-yl)-2-iodo-1,3-thiazole is sourced from PubChem (CID 162549396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).