(3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone

C8H9FN2OS — CID 131067261

IUPAC(3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESCC1(F)CN(C(=O)c2cscn2)C1
InChIInChI=1S/C8H9FN2OS/c1-8(9)3-11(4-8)7(12)6-2-13-5-10-6/h2,5H,3-4H2,1H3
InChIKeySEFWRAPWWWDULA-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.33
Rot. Bonds1

About (3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone

(3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 131067261) has the molecular formula C8H9FN2OS and a molecular weight of 200.24 g/mol. Its IUPAC name is (3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID131067261
Molecular FormulaC8H9FN2OS
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Name(3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESCC1(F)CN(C(=O)c2cscn2)C1
InChIInChI=1S/C8H9FN2OS/c1-8(9)3-11(4-8)7(12)6-2-13-5-10-6/h2,5H,3-4H2,1H3
InChIKeySEFWRAPWWWDULA-UHFFFAOYSA-N
XLogP1.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone (CID 131067261) is (3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone is CC1(F)CN(C(=O)c2cscn2)C1.
What is the InChIKey of (3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is SEFWRAPWWWDULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2OS/c1-8(9)3-11(4-8)7(12)6-2-13-5-10-6/h2,5H,3-4H2,1H3.
What are the key properties of (3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone?
(3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 200.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methylazetidin-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131067261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).