[1,3]thiazolo[4,5-d]pyrimidin-7-amine

C5H4N4S — CID 69242763

IUPAC[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESNc1ncnc2ncsc12
InChIInChI=1S/C5H4N4S/c6-4-3-5(8-1-7-4)9-2-10-3/h1-2H,(H2,6,7,8)
InChIKeyXDRROOYYBQVIHH-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.67
Rot. Bonds

About [1,3]thiazolo[4,5-d]pyrimidin-7-amine

[1,3]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 69242763) has the molecular formula C5H4N4S and a molecular weight of 152.18 g/mol. Its IUPAC name is [1,3]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name[1,3]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID69242763
Molecular FormulaC5H4N4S
Molecular Weight152.18 g/mol
Exact Mass152.02
IUPAC Name[1,3]thiazolo[4,5-d]pyrimidin-7-amine
SMILESNc1ncnc2ncsc12
InChIInChI=1S/C5H4N4S/c6-4-3-5(8-1-7-4)9-2-10-3/h1-2H,(H2,6,7,8)
InChIKeyXDRROOYYBQVIHH-UHFFFAOYSA-N
XLogP0.67
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of [1,3]thiazolo[4,5-d]pyrimidin-7-amine (CID 69242763) is [1,3]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for [1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for [1,3]thiazolo[4,5-d]pyrimidin-7-amine is Nc1ncnc2ncsc12.
What is the InChIKey of [1,3]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is XDRROOYYBQVIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S/c6-4-3-5(8-1-7-4)9-2-10-3/h1-2H,(H2,6,7,8).
What are the key properties of [1,3]thiazolo[4,5-d]pyrimidin-7-amine?
[1,3]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 152.18 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 69242763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).