(2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole

C8H12N2O2S — CID 160853319

IUPAC(2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole
SMILESO=C(O)[C@@H]1CCCN1.c1cscn1
InChIInChI=1S/C5H9NO2.C3H3NS/c7-5(8)4-2-1-3-6-4;1-2-5-3-4-1/h4,6H,1-3H2,(H,7,8);1-3H/t4-;/m0./s1
InChIKeySJNVTJICBCQLKW-WCCKRBBISA-N
MW200.26 g/mol
LogP0.97
Rot. Bonds1

About (2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole

(2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole (PubChem CID 160853319) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole.

Molecular Properties

Compound Name(2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole
PubChem CID160853319
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole
SMILESO=C(O)[C@@H]1CCCN1.c1cscn1
InChIInChI=1S/C5H9NO2.C3H3NS/c7-5(8)4-2-1-3-6-4;1-2-5-3-4-1/h4,6H,1-3H2,(H,7,8);1-3H/t4-;/m0./s1
InChIKeySJNVTJICBCQLKW-WCCKRBBISA-N
XLogP0.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole?
The IUPAC name of (2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole (CID 160853319) is (2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole.
What is the SMILES notation for (2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole?
The canonical SMILES for (2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole is O=C(O)[C@@H]1CCCN1.c1cscn1.
What is the InChIKey of (2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole?
The InChIKey is SJNVTJICBCQLKW-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.C3H3NS/c7-5(8)4-2-1-3-6-4;1-2-5-3-4-1/h4,6H,1-3H2,(H,7,8);1-3H/t4-;/m0./s1.
What are the key properties of (2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole?
(2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole has a molecular weight of 200.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-pyrrolidine-2-carboxylic acid;1,3-thiazole is sourced from PubChem (CID 160853319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).