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

C8H9N3O2S — CID 107773774

IUPAC(4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2ccncn2)N1
InChIInChI=1S/C8H9N3O2S/c12-8(13)6-3-14-7(11-6)5-1-2-9-4-10-5/h1-2,4,6-7,11H,3H2,(H,12,13)/t6-,7?/m1/s1
InChIKeyGUXVJLOYACWSGG-ULUSZKPHSA-N
MW211.25 g/mol
LogP0.26
Rot. Bonds2

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

(4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107773774) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is (4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID107773774
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name(4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2ccncn2)N1
InChIInChI=1S/C8H9N3O2S/c12-8(13)6-3-14-7(11-6)5-1-2-9-4-10-5/h1-2,4,6-7,11H,3H2,(H,12,13)/t6-,7?/m1/s1
InChIKeyGUXVJLOYACWSGG-ULUSZKPHSA-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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Related Compounds

2-pyrimidin-4-yl-1,3-thiazinane-4-carboxylic acid
CID 63985848
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
CID 68805778
2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 126985113
2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 131071428
(4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 91623324
(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 51390894
2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 53270081
(4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146788
2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 68806943
2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 80500578
(4S)-2-(5-nitrofuran-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107773985

Frequently Asked Questions

What is the IUPAC name of (4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid (CID 107773774) is (4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CSC(c2ccncn2)N1.
What is the InChIKey of (4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GUXVJLOYACWSGG-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H9N3O2S/c12-8(13)6-3-14-7(11-6)5-1-2-9-4-10-5/h1-2,4,6-7,11H,3H2,(H,12,13)/t6-,7?/m1/s1.
What are the key properties of (4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-pyrimidin-4-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 (4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107773774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).