1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid

C10H15N3O2S2 — CID 88939590

IUPAC1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid
SMILESNc1ncc(SCCN2CCCC2C(=O)O)s1
InChIInChI=1S/C10H15N3O2S2/c11-10-12-6-8(17-10)16-5-4-13-3-1-2-7(13)9(14)15/h6-7H,1-5H2,(H2,11,12)(H,14,15)
InChIKeyZPAJBIHLNQKXQP-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.37
Rot. Bonds5

About 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid

1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 88939590) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid
PubChem CID88939590
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid
SMILESNc1ncc(SCCN2CCCC2C(=O)O)s1
InChIInChI=1S/C10H15N3O2S2/c11-10-12-6-8(17-10)16-5-4-13-3-1-2-7(13)9(14)15/h6-7H,1-5H2,(H2,11,12)(H,14,15)
InChIKeyZPAJBIHLNQKXQP-UHFFFAOYSA-N
XLogP1.37
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid (CID 88939590) is 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid is Nc1ncc(SCCN2CCCC2C(=O)O)s1.
What is the InChIKey of 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZPAJBIHLNQKXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c11-10-12-6-8(17-10)16-5-4-13-3-1-2-7(13)9(14)15/h6-7H,1-5H2,(H2,11,12)(H,14,15).
What are the key properties of 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid?
1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 88939590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).