(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid

C15H16N2O2S — CID 122038220

IUPAC(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H16N2O2S/c18-15(19)13-7-4-8-17(13)9-14-16-12(10-20-14)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2,(H,18,19)/t13-/m1/s1
InChIKeyQIBONJHUTGROMZ-CYBMUJFWSA-N
MW288.37 g/mol
LogP2.86
Rot. Bonds4

About (2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 122038220) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID122038220
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H16N2O2S/c18-15(19)13-7-4-8-17(13)9-14-16-12(10-20-14)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2,(H,18,19)/t13-/m1/s1
InChIKeyQIBONJHUTGROMZ-CYBMUJFWSA-N
XLogP2.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid 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

(2R,3R)-2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylic acid
CID 122124812
(2S)-1-[(4-phenylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122038662
2-[(3S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]acetamide
CID 97160299
(2R)-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119914241
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970
(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67253384
(2S)-1-[(2-chlorothiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122038756
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678
1-(azepan-1-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 30485899
3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 110901412
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913874

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 122038220) is (2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of (2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QIBONJHUTGROMZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-15(19)13-7-4-8-17(13)9-14-16-12(10-20-14)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122038220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).