2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione

C7H7N3O2S — CID 58334128

IUPAC2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
SMILESCCc1nc2c(=O)[nH]c(=O)[nH]c2s1
InChIInChI=1S/C7H7N3O2S/c1-2-3-8-4-5(11)9-7(12)10-6(4)13-3/h2H2,1H3,(H2,9,10,11,12)
InChIKeyOUPDVSZQYIGWHT-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.24
Rot. Bonds1

About 2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione

2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione (PubChem CID 58334128) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
PubChem CID58334128
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
SMILESCCc1nc2c(=O)[nH]c(=O)[nH]c2s1
InChIInChI=1S/C7H7N3O2S/c1-2-3-8-4-5(11)9-7(12)10-6(4)13-3/h2H2,1H3,(H2,9,10,11,12)
InChIKeyOUPDVSZQYIGWHT-UHFFFAOYSA-N
XLogP0.24
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
The IUPAC name of 2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione (CID 58334128) is 2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione.
What is the SMILES notation for 2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
The canonical SMILES for 2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione is CCc1nc2c(=O)[nH]c(=O)[nH]c2s1.
What is the InChIKey of 2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
The InChIKey is OUPDVSZQYIGWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c1-2-3-8-4-5(11)9-7(12)10-6(4)13-3/h2H2,1H3,(H2,9,10,11,12).
What are the key properties of 2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione?
2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione has a molecular weight of 197.22 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione is sourced from PubChem (CID 58334128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).