5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine

C8H9N3S — CID 59589158

IUPAC5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCC(C)c1ncc2ncsc2n1
InChIInChI=1S/C8H9N3S/c1-5(2)7-9-3-6-8(11-7)12-4-10-6/h3-5H,1-2H3
InChIKeyROQALTRIXZJMAG-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.21
Rot. Bonds1

About 5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine

5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 59589158) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID59589158
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCC(C)c1ncc2ncsc2n1
InChIInChI=1S/C8H9N3S/c1-5(2)7-9-3-6-8(11-7)12-4-10-6/h3-5H,1-2H3
InChIKeyROQALTRIXZJMAG-UHFFFAOYSA-N
XLogP2.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine (CID 59589158) is 5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine is CC(C)c1ncc2ncsc2n1.
What is the InChIKey of 5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is ROQALTRIXZJMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-5(2)7-9-3-6-8(11-7)12-4-10-6/h3-5H,1-2H3.
What are the key properties of 5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine?
5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 179.25 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 59589158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).