5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C8H9N3OS — CID 91806708

IUPAC5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)c1cc(=O)nc2scnn12
InChIInChI=1S/C8H9N3OS/c1-5(2)6-3-7(12)10-8-11(6)9-4-13-8/h3-5H,1-2H3
InChIKeyVHEBCTZFGKHKQH-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.27
Rot. Bonds1

About 5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (PubChem CID 91806708) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
PubChem CID91806708
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)c1cc(=O)nc2scnn12
InChIInChI=1S/C8H9N3OS/c1-5(2)6-3-7(12)10-8-11(6)9-4-13-8/h3-5H,1-2H3
InChIKeyVHEBCTZFGKHKQH-UHFFFAOYSA-N
XLogP1.27
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CID 91806708) is 5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is CC(C)c1cc(=O)nc2scnn12.
What is the InChIKey of 5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is VHEBCTZFGKHKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-5(2)6-3-7(12)10-8-11(6)9-4-13-8/h3-5H,1-2H3.
What are the key properties of 5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 195.25 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 91806708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).