(5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione

C8H5N3O2S — CID 140897246

IUPAC(5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cncnc2)S1
InChIInChI=1S/C8H5N3O2S/c12-7-6(14-8(13)11-7)1-5-2-9-4-10-3-5/h1-4H,(H,11,12,13)/b6-1-
InChIKeyVMFIXAMUQTYOKA-BHQIHCQQSA-N
MW207.21 g/mol
LogP0.80
Rot. Bonds1

About (5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 140897246) has the molecular formula C8H5N3O2S and a molecular weight of 207.21 g/mol. Its IUPAC name is (5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID140897246
Molecular FormulaC8H5N3O2S
Molecular Weight207.21 g/mol
Exact Mass207.01
IUPAC Name(5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cncnc2)S1
InChIInChI=1S/C8H5N3O2S/c12-7-6(14-8(13)11-7)1-5-2-9-4-10-3-5/h1-4H,(H,11,12,13)/b6-1-
InChIKeyVMFIXAMUQTYOKA-BHQIHCQQSA-N
XLogP0.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 140897246) is (5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cncnc2)S1.
What is the InChIKey of (5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is VMFIXAMUQTYOKA-BHQIHCQQSA-N. The full InChI is InChI=1S/C8H5N3O2S/c12-7-6(14-8(13)11-7)1-5-2-9-4-10-3-5/h1-4H,(H,11,12,13)/b6-1-.
What are the key properties of (5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 207.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(pyrimidin-5-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 140897246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).