2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid

C10H13N3O3S2 — CID 135459416

IUPAC2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCSc1nc(C2NC(C(=O)O)CS2)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O3S2/c1-2-17-10-12-5(3-7(14)13-10)8-11-6(4-18-8)9(15)16/h3,6,8,11H,2,4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyZKJDIKRLCGRIDD-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.67
Rot. Bonds4

About 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid

2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 135459416) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID135459416
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCSc1nc(C2NC(C(=O)O)CS2)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O3S2/c1-2-17-10-12-5(3-7(14)13-10)8-11-6(4-18-8)9(15)16/h3,6,8,11H,2,4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyZKJDIKRLCGRIDD-UHFFFAOYSA-N
XLogP0.67
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 135459416) is 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid is CCSc1nc(C2NC(C(=O)O)CS2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZKJDIKRLCGRIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-2-17-10-12-5(3-7(14)13-10)8-11-6(4-18-8)9(15)16/h3,6,8,11H,2,4H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.37 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 135459416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).