methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate

C11H15FN2O2S — CID 69336181

IUPACmethyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
SMILESCOC(=O)CCc1cnc(N2CCC[C@@H]2F)s1
InChIInChI=1S/C11H15FN2O2S/c1-16-10(15)5-4-8-7-13-11(17-8)14-6-2-3-9(14)12/h7,9H,2-6H2,1H3/t9-/m1/s1
InChIKeyTUBLZSRWGAUHGS-SECBINFHSA-N
MW258.32 g/mol
LogP2.14
Rot. Bonds4

About methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate

methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate (PubChem CID 69336181) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
PubChem CID69336181
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Namemethyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
SMILESCOC(=O)CCc1cnc(N2CCC[C@@H]2F)s1
InChIInChI=1S/C11H15FN2O2S/c1-16-10(15)5-4-8-7-13-11(17-8)14-6-2-3-9(14)12/h7,9H,2-6H2,1H3/t9-/m1/s1
InChIKeyTUBLZSRWGAUHGS-SECBINFHSA-N
XLogP2.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
CID 69336184
3-[2-[2-(2,2-Difluoropiperidin-1-yl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoic acid
CID 140104305
3-[2-(Dimethylamino)-1,3-thiazol-5-yl]-3,3-difluoropropanoic acid
CID 165743189
3-[2-(Dimethylamino)-1,3-thiazol-5-yl]-2,2-difluoropropanoic acid
CID 165838555
2,2-Difluoro-3-[2-(morpholin-4-yl)-1,3-thiazol-5-yl]propanoic acid
CID 165844440
3,3-Difluoro-3-[2-(morpholin-4-yl)-1,3-thiazol-5-yl]propanoic acid
CID 165969265
Methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate
CID 1531267
Ethyl 3-(2-acetamido-1,3-thiazol-5-yl)propanoate
CID 10131018
3-[2-(Methylamino)-1,3-thiazol-5-yl]propanoic acid
CID 22081023
Methyl 3-[2-(butanoylamino)-1,3-thiazol-5-yl]propanoate
CID 22170754
Methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate;hydrobromide
CID 44669004
tert-butyl (2S)-1-[5-(3-methoxy-3-oxopropyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylpyrrolidine-2-carboxylate
CID 69335196

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate?
The IUPAC name of methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate (CID 69336181) is methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate.
What is the SMILES notation for methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate?
The canonical SMILES for methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate is COC(=O)CCc1cnc(N2CCC[C@@H]2F)s1.
What is the InChIKey of methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate?
The InChIKey is TUBLZSRWGAUHGS-SECBINFHSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-16-10(15)5-4-8-7-13-11(17-8)14-6-2-3-9(14)12/h7,9H,2-6H2,1H3/t9-/m1/s1.
What are the key properties of methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate?
methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate has a molecular weight of 258.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2S)-2-fluoropyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate is sourced from PubChem (CID 69336181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).