3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one

C13H8N4O2S2 — CID 17448867

IUPAC3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H8N4O2S2/c18-10-5-8(15-13-17(10)2-4-21-13)6-16-7-14-9-1-3-20-11(9)12(16)19/h1-5,7H,6H2
InChIKeyKYGYVFCFLHPHHV-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.58
Rot. Bonds2

About 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one

3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 17448867) has the molecular formula C13H8N4O2S2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID17448867
Molecular FormulaC13H8N4O2S2
Molecular Weight316.37 g/mol
Exact Mass316.01
IUPAC Name3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H8N4O2S2/c18-10-5-8(15-13-17(10)2-4-21-13)6-16-7-14-9-1-3-20-11(9)12(16)19/h1-5,7H,6H2
InChIKeyKYGYVFCFLHPHHV-UHFFFAOYSA-N
XLogP1.58
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 17448867) is 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KYGYVFCFLHPHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O2S2/c18-10-5-8(15-13-17(10)2-4-21-13)6-16-7-14-9-1-3-20-11(9)12(16)19/h1-5,7H,6H2.
What are the key properties of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 316.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 17448867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).