1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid

C13H14N2O2S2 — CID 122036431

IUPAC1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1cnc(-c2cccs2)s1
InChIInChI=1S/C13H14N2O2S2/c16-13(17)10-3-1-5-15(10)8-9-7-14-12(19-9)11-4-2-6-18-11/h2,4,6-7,10H,1,3,5,8H2,(H,16,17)
InChIKeyHRNRWAAPJHVALN-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.92
Rot. Bonds4

About 1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid

1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 122036431) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID122036431
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1cnc(-c2cccs2)s1
InChIInChI=1S/C13H14N2O2S2/c16-13(17)10-3-1-5-15(10)8-9-7-14-12(19-9)11-4-2-6-18-11/h2,4,6-7,10H,1,3,5,8H2,(H,16,17)
InChIKeyHRNRWAAPJHVALN-UHFFFAOYSA-N
XLogP2.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119914241
(2S)-1-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 125148770
1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 122040351
(2S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119910746
1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 71649579
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azepane-2-carboxylic acid
CID 64564317
1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 16740501
(2S)-1-[(2-chlorothiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122038756
1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid
CID 16740500
5-[(2,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;hydrochloride
CID 120905848
methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 56791543
4-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
CID 71975057

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid (CID 122036431) is 1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1cnc(-c2cccs2)s1.
What is the InChIKey of 1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HRNRWAAPJHVALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c16-13(17)10-3-1-5-15(10)8-9-7-14-12(19-9)11-4-2-6-18-11/h2,4,6-7,10H,1,3,5,8H2,(H,16,17).
What are the key properties of 1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122036431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).