7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C13H9N3OS — CID 13188210

IUPAC7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(/C=C/c2ccccc2)nc2scnn12
InChIInChI=1S/C13H9N3OS/c17-12-8-11(15-13-16(12)14-9-18-13)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+
InChIKeyZDPRBNLCOXJKLM-VOTSOKGWSA-N
MW255.30 g/mol
LogP2.32
Rot. Bonds2

About 7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 13188210) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is 7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID13188210
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(/C=C/c2ccccc2)nc2scnn12
InChIInChI=1S/C13H9N3OS/c17-12-8-11(15-13-16(12)14-9-18-13)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+
InChIKeyZDPRBNLCOXJKLM-VOTSOKGWSA-N
XLogP2.32
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 13188210) is 7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1cc(/C=C/c2ccccc2)nc2scnn12.
What is the InChIKey of 7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZDPRBNLCOXJKLM-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-12-8-11(15-13-16(12)14-9-18-13)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+.
What are the key properties of 7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 255.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 13188210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).