4-(1,3-dioxolan-2-yl)thiadiazole

C5H6N2O2S — CID 11789474

IUPAC4-(1,3-dioxolan-2-yl)thiadiazole
SMILESc1snnc1C1OCCO1
InChIInChI=1S/C5H6N2O2S/c1-2-9-5(8-1)4-3-10-7-6-4/h3,5H,1-2H2
InChIKeyQVLAAKJVKDASKA-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.58
Rot. Bonds1

About 4-(1,3-dioxolan-2-yl)thiadiazole

4-(1,3-dioxolan-2-yl)thiadiazole (PubChem CID 11789474) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)thiadiazole
PubChem CID11789474
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name4-(1,3-dioxolan-2-yl)thiadiazole
SMILESc1snnc1C1OCCO1
InChIInChI=1S/C5H6N2O2S/c1-2-9-5(8-1)4-3-10-7-6-4/h3,5H,1-2H2
InChIKeyQVLAAKJVKDASKA-UHFFFAOYSA-N
XLogP0.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-dioxolan-2-yl)thiadiazole 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 4-(1,3-dioxolan-2-yl)thiadiazole?
The IUPAC name of 4-(1,3-dioxolan-2-yl)thiadiazole (CID 11789474) is 4-(1,3-dioxolan-2-yl)thiadiazole.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)thiadiazole?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)thiadiazole is c1snnc1C1OCCO1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)thiadiazole?
The InChIKey is QVLAAKJVKDASKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-2-9-5(8-1)4-3-10-7-6-4/h3,5H,1-2H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)thiadiazole?
4-(1,3-dioxolan-2-yl)thiadiazole has a molecular weight of 158.18 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)thiadiazole is sourced from PubChem (CID 11789474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).