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

C5H6N6S — CID 602661

IUPAC[1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine
SMILESNc1nc(N)c2sc(N)nc2n1
InChIInChI=1S/C5H6N6S/c6-2-1-3(10-4(7)9-2)11-5(8)12-1/h(H6,6,7,8,9,10,11)
InChIKeyDNUWVUDMQNLWAJ-UHFFFAOYSA-N
MW182.21 g/mol
LogP-0.17
Rot. Bonds

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

[1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine (PubChem CID 602661) has the molecular formula C5H6N6S and a molecular weight of 182.21 g/mol. Its IUPAC name is [1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine.

Molecular Properties

Compound Name[1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine
PubChem CID602661
Molecular FormulaC5H6N6S
Molecular Weight182.21 g/mol
Exact Mass182.04
IUPAC Name[1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine
SMILESNc1nc(N)c2sc(N)nc2n1
InChIInChI=1S/C5H6N6S/c6-2-1-3(10-4(7)9-2)11-5(8)12-1/h(H6,6,7,8,9,10,11)
InChIKeyDNUWVUDMQNLWAJ-UHFFFAOYSA-N
XLogP-0.17
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine?
The IUPAC name of [1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine (CID 602661) is [1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine.
What is the SMILES notation for [1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine?
The canonical SMILES for [1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine is Nc1nc(N)c2sc(N)nc2n1.
What is the InChIKey of [1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine?
The InChIKey is DNUWVUDMQNLWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6S/c6-2-1-3(10-4(7)9-2)11-5(8)12-1/h(H6,6,7,8,9,10,11).
What are the key properties of [1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine?
[1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine has a molecular weight of 182.21 g/mol, XLogP of -0.17, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[4,5-d]pyrimidine-2,5,7-triamine is sourced from PubChem (CID 602661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).