3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H8N2OS — CID 175767826

IUPAC3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2scc(C3CC3)n12
InChIInChI=1S/C9H8N2OS/c12-8-3-4-10-9-11(8)7(5-13-9)6-1-2-6/h3-6H,1-2H2
InChIKeyQCSITYRFTXLXBZ-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.63
Rot. Bonds1

About 3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 175767826) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID175767826
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2scc(C3CC3)n12
InChIInChI=1S/C9H8N2OS/c12-8-3-4-10-9-11(8)7(5-13-9)6-1-2-6/h3-6H,1-2H2
InChIKeyQCSITYRFTXLXBZ-UHFFFAOYSA-N
XLogP1.63
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 175767826) is 3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2scc(C3CC3)n12.
What is the InChIKey of 3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QCSITYRFTXLXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-8-3-4-10-9-11(8)7(5-13-9)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 192.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 175767826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).