6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine

C7H7N3S — CID 122696581

IUPAC6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine
SMILESCCc1ncc2cnsc2n1
InChIInChI=1S/C7H7N3S/c1-2-6-8-3-5-4-9-11-7(5)10-6/h3-4H,2H2,1H3
InChIKeySJWUXIWRMQLLHV-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.65
Rot. Bonds1

About 6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine

6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine (PubChem CID 122696581) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine
PubChem CID122696581
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine
SMILESCCc1ncc2cnsc2n1
InChIInChI=1S/C7H7N3S/c1-2-6-8-3-5-4-9-11-7(5)10-6/h3-4H,2H2,1H3
InChIKeySJWUXIWRMQLLHV-UHFFFAOYSA-N
XLogP1.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine (CID 122696581) is 6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine is CCc1ncc2cnsc2n1.
What is the InChIKey of 6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine?
The InChIKey is SJWUXIWRMQLLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-2-6-8-3-5-4-9-11-7(5)10-6/h3-4H,2H2,1H3.
What are the key properties of 6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine?
6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine has a molecular weight of 165.22 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 122696581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).