3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H5N3OS2 — CID 118009355

IUPAC3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2scc(-c3cscn3)n12
InChIInChI=1S/C9H5N3OS2/c13-8-1-2-10-9-12(8)7(4-15-9)6-3-14-5-11-6/h1-5H
InChIKeyGRHDZPOOZDDLFK-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.88
Rot. Bonds1

About 3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 118009355) has the molecular formula C9H5N3OS2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID118009355
Molecular FormulaC9H5N3OS2
Molecular Weight235.29 g/mol
Exact Mass234.99
IUPAC Name3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2scc(-c3cscn3)n12
InChIInChI=1S/C9H5N3OS2/c13-8-1-2-10-9-12(8)7(4-15-9)6-3-14-5-11-6/h1-5H
InChIKeyGRHDZPOOZDDLFK-UHFFFAOYSA-N
XLogP1.88
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-Thiazol-4-ylmethyl)pyrimidin-4-one
CID 115696912
5-Iodo-3-(1,3-thiazol-4-ylmethyl)pyrimidin-4-one
CID 66308632
3-[(2-Chloro-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
CID 130552628

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 118009355) is 3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2scc(-c3cscn3)n12.
What is the InChIKey of 3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GRHDZPOOZDDLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3OS2/c13-8-1-2-10-9-12(8)7(4-15-9)6-3-14-5-11-6/h1-5H.
What are the key properties of 3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 235.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 118009355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).