3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione

C8H9N3O2S — CID 136994186

IUPAC3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione
SMILESCC(C)c1nsc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C8H9N3O2S/c1-3(2)5-4-6(12)9-8(13)10-7(4)14-11-5/h3H,1-2H3,(H2,9,10,12,13)
InChIKeyLPRDEXWAFQDKQS-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.80
Rot. Bonds1

About 3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione

3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 136994186) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID136994186
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione
SMILESCC(C)c1nsc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C8H9N3O2S/c1-3(2)5-4-6(12)9-8(13)10-7(4)14-11-5/h3H,1-2H3,(H2,9,10,12,13)
InChIKeyLPRDEXWAFQDKQS-UHFFFAOYSA-N
XLogP0.80
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of 3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione (CID 136994186) is 3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione is CC(C)c1nsc2[nH]c(=O)[nH]c(=O)c12.
What is the InChIKey of 3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is LPRDEXWAFQDKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-3(2)5-4-6(12)9-8(13)10-7(4)14-11-5/h3H,1-2H3,(H2,9,10,12,13).
What are the key properties of 3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione?
3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 211.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 136994186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).