[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

C5H5N5S — CID 10953913

IUPAC[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESNc1nc2ncnc(N)c2s1
InChIInChI=1S/C5H5N5S/c6-3-2-4(9-1-8-3)10-5(7)11-2/h1H,(H4,6,7,8,9,10)
InChIKeyGUAFRDFLFKZWEG-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.25
Rot. Bonds

About [1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine

[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (PubChem CID 10953913) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is [1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
PubChem CID10953913
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
SMILESNc1nc2ncnc(N)c2s1
InChIInChI=1S/C5H5N5S/c6-3-2-4(9-1-8-3)10-5(7)11-2/h1H,(H4,6,7,8,9,10)
InChIKeyGUAFRDFLFKZWEG-UHFFFAOYSA-N
XLogP0.25
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The IUPAC name of [1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine (CID 10953913) is [1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine.
What is the SMILES notation for [1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The canonical SMILES for [1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is Nc1nc2ncnc(N)c2s1.
What is the InChIKey of [1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
The InChIKey is GUAFRDFLFKZWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c6-3-2-4(9-1-8-3)10-5(7)11-2/h1H,(H4,6,7,8,9,10).
What are the key properties of [1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine?
[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine has a molecular weight of 167.20 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 10953913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).