2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine

C10H13N3OS — CID 58088292

IUPAC2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCOc1ncnc2sc(C(C)(C)C)nc12
InChIInChI=1S/C10H13N3OS/c1-10(2,3)9-13-6-7(14-4)11-5-12-8(6)15-9/h5H,1-4H3
InChIKeyRRKNNQAAJXELOF-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.39
Rot. Bonds1

About 2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine

2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 58088292) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID58088292
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCOc1ncnc2sc(C(C)(C)C)nc12
InChIInChI=1S/C10H13N3OS/c1-10(2,3)9-13-6-7(14-4)11-5-12-8(6)15-9/h5H,1-4H3
InChIKeyRRKNNQAAJXELOF-UHFFFAOYSA-N
XLogP2.39
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine (CID 58088292) is 2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine is COc1ncnc2sc(C(C)(C)C)nc12.
What is the InChIKey of 2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is RRKNNQAAJXELOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-10(2,3)9-13-6-7(14-4)11-5-12-8(6)15-9/h5H,1-4H3.
What are the key properties of 2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine?
2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 223.30 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methoxy-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 58088292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).