(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid

C8H9N3O2S — CID 68805778

IUPAC(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CS[C@H](c2cncnc2)N1
InChIInChI=1S/C8H9N3O2S/c12-8(13)6-3-14-7(11-6)5-1-9-4-10-2-5/h1-2,4,6-7,11H,3H2,(H,12,13)/t6?,7-/m1/s1
InChIKeyUYADJNHEMNONLB-COBSHVIPSA-N
MW211.25 g/mol
LogP0.26
Rot. Bonds2

About (2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid

(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 68805778) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is (2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID68805778
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CS[C@H](c2cncnc2)N1
InChIInChI=1S/C8H9N3O2S/c12-8(13)6-3-14-7(11-6)5-1-9-4-10-2-5/h1-2,4,6-7,11H,3H2,(H,12,13)/t6?,7-/m1/s1
InChIKeyUYADJNHEMNONLB-COBSHVIPSA-N
XLogP0.26
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid (CID 68805778) is (2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CS[C@H](c2cncnc2)N1.
What is the InChIKey of (2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UYADJNHEMNONLB-COBSHVIPSA-N. The full InChI is InChI=1S/C8H9N3O2S/c12-8(13)6-3-14-7(11-6)5-1-9-4-10-2-5/h1-2,4,6-7,11H,3H2,(H,12,13)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid?
(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 211.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 68805778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).