[1,3]thiazolo[5,4-d]pyrimidine

C5H3N3S — CID 586229

IUPAC[1,3]thiazolo[5,4-d]pyrimidine
SMILESc1ncc2ncsc2n1
InChIInChI=1S/C5H3N3S/c1-4-5(7-2-6-1)9-3-8-4/h1-3H
InChIKeyCDGFEINVQHEUQV-UHFFFAOYSA-N
MW137.17 g/mol
LogP1.09
Rot. Bonds

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

[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 586229) has the molecular formula C5H3N3S and a molecular weight of 137.17 g/mol. Its IUPAC name is [1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID586229
Molecular FormulaC5H3N3S
Molecular Weight137.17 g/mol
Exact Mass137.00
IUPAC Name[1,3]thiazolo[5,4-d]pyrimidine
SMILESc1ncc2ncsc2n1
InChIInChI=1S/C5H3N3S/c1-4-5(7-2-6-1)9-3-8-4/h1-3H
InChIKeyCDGFEINVQHEUQV-UHFFFAOYSA-N
XLogP1.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of [1,3]thiazolo[5,4-d]pyrimidine (CID 586229) is [1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for [1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for [1,3]thiazolo[5,4-d]pyrimidine is c1ncc2ncsc2n1.
What is the InChIKey of [1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is CDGFEINVQHEUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3S/c1-4-5(7-2-6-1)9-3-8-4/h1-3H.
What are the key properties of [1,3]thiazolo[5,4-d]pyrimidine?
[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 137.17 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 586229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).