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

C13H15ClN2O2S2 — CID 119913874

IUPAC(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCCN1Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C13H14N2O2S2.ClH/c16-13(17)11-2-1-4-15(11)6-10-8-19-12(14-10)9-3-5-18-7-9;/h3,5,7-8,11H,1-2,4,6H2,(H,16,17);1H/t11-;/m1./s1
InChIKeyURLBLHZBSSTOOZ-RFVHGSKJSA-N
MW330.86 g/mol
LogP3.34
Rot. Bonds4

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

(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 119913874) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is (2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID119913874
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCCN1Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C13H14N2O2S2.ClH/c16-13(17)11-2-1-4-15(11)6-10-8-19-12(14-10)9-3-5-18-7-9;/h3,5,7-8,11H,1-2,4,6H2,(H,16,17);1H/t11-;/m1./s1
InChIKeyURLBLHZBSSTOOZ-RFVHGSKJSA-N
XLogP3.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride with MolForge

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Related Compounds

1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 53498925
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
CID 114426304
(2R)-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119914241
[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62734410
(2S,3aS,7aS)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125148477
[(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 164632402
[(2S,3R)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 138038005
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67253384
(2R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119913941

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 119913874) is (2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1CCCN1Cc1csc(-c2ccsc2)n1.
What is the InChIKey of (2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is URLBLHZBSSTOOZ-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H14N2O2S2.ClH/c16-13(17)11-2-1-4-15(11)6-10-8-19-12(14-10)9-3-5-18-7-9;/h3,5,7-8,11H,1-2,4,6H2,(H,16,17);1H/t11-;/m1./s1.
What are the key properties of (2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 119913874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).