[(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine

C10H20FN3S — CID 155289081

IUPAC[(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCC1NC(CN2C[C@H](F)C[C@H]2CN)CS1
InChIInChI=1S/C10H20FN3S/c1-7-13-9(6-15-7)5-14-4-8(11)2-10(14)3-12/h7-10,13H,2-6,12H2,1H3/t7?,8-,9?,10+/m1/s1
InChIKeyXRUQQNJXFWSJCN-RGWUEKKESA-N
MW233.36 g/mol
LogP0.41
Rot. Bonds3

About [(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine

[(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 155289081) has the molecular formula C10H20FN3S and a molecular weight of 233.36 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID155289081
Molecular FormulaC10H20FN3S
Molecular Weight233.36 g/mol
Exact Mass233.14
IUPAC Name[(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCC1NC(CN2C[C@H](F)C[C@H]2CN)CS1
InChIInChI=1S/C10H20FN3S/c1-7-13-9(6-15-7)5-14-4-8(11)2-10(14)3-12/h7-10,13H,2-6,12H2,1H3/t7?,8-,9?,10+/m1/s1
InChIKeyXRUQQNJXFWSJCN-RGWUEKKESA-N
XLogP0.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine 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 [(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine (CID 155289081) is [(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine is CC1NC(CN2C[C@H](F)C[C@H]2CN)CS1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is XRUQQNJXFWSJCN-RGWUEKKESA-N. The full InChI is InChI=1S/C10H20FN3S/c1-7-13-9(6-15-7)5-14-4-8(11)2-10(14)3-12/h7-10,13H,2-6,12H2,1H3/t7?,8-,9?,10+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine?
[(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-[(2-methyl-1,3-thiazolidin-4-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 155289081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).