2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde

C8H9FN2OS — CID 175235481

IUPAC2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc([C@@H]2C[C@@H](F)CN2)n1
InChIInChI=1S/C8H9FN2OS/c9-5-1-7(10-2-5)8-11-6(3-12)4-13-8/h3-5,7,10H,1-2H2/t5-,7+/m1/s1
InChIKeyKJDANYZOPLNCAI-VDTYLAMSSA-N
MW200.24 g/mol
LogP1.33
Rot. Bonds2

About 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde

2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde (PubChem CID 175235481) has the molecular formula C8H9FN2OS and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde
PubChem CID175235481
Molecular FormulaC8H9FN2OS
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Name2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc([C@@H]2C[C@@H](F)CN2)n1
InChIInChI=1S/C8H9FN2OS/c9-5-1-7(10-2-5)8-11-6(3-12)4-13-8/h3-5,7,10H,1-2H2/t5-,7+/m1/s1
InChIKeyKJDANYZOPLNCAI-VDTYLAMSSA-N
XLogP1.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde 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 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde (CID 175235481) is 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde is O=Cc1csc([C@@H]2C[C@@H](F)CN2)n1.
What is the InChIKey of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde?
The InChIKey is KJDANYZOPLNCAI-VDTYLAMSSA-N. The full InChI is InChI=1S/C8H9FN2OS/c9-5-1-7(10-2-5)8-11-6(3-12)4-13-8/h3-5,7,10H,1-2H2/t5-,7+/m1/s1.
What are the key properties of 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde?
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 175235481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).