1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione

C7H9N3O2S — CID 174864881

IUPAC1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(C2CNCS2)c(=O)[nH]1
InChIInChI=1S/C7H9N3O2S/c11-5-1-2-10(7(12)9-5)6-3-8-4-13-6/h1-2,6,8H,3-4H2,(H,9,11,12)
InChIKeyMMALYWALQDLQIJ-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.67
Rot. Bonds1

About 1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione

1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione (PubChem CID 174864881) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is 1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione
PubChem CID174864881
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC Name1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(C2CNCS2)c(=O)[nH]1
InChIInChI=1S/C7H9N3O2S/c11-5-1-2-10(7(12)9-5)6-3-8-4-13-6/h1-2,6,8H,3-4H2,(H,9,11,12)
InChIKeyMMALYWALQDLQIJ-UHFFFAOYSA-N
XLogP-0.67
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione (CID 174864881) is 1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione is O=c1ccn(C2CNCS2)c(=O)[nH]1.
What is the InChIKey of 1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione?
The InChIKey is MMALYWALQDLQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c11-5-1-2-10(7(12)9-5)6-3-8-4-13-6/h1-2,6,8H,3-4H2,(H,9,11,12).
What are the key properties of 1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione?
1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione has a molecular weight of 199.23 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazolidin-5-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 174864881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).