5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C8H9N3OS — CID 130232038

IUPAC5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCC(C)c1ncc2sc(=O)[nH]c2n1
InChIInChI=1S/C8H9N3OS/c1-4(2)6-9-3-5-7(10-6)11-8(12)13-5/h3-4H,1-2H3,(H,9,10,11,12)
InChIKeyVRPWJBWBVQQBRC-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.50
Rot. Bonds1

About 5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one

5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 130232038) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
PubChem CID130232038
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
SMILESCC(C)c1ncc2sc(=O)[nH]c2n1
InChIInChI=1S/C8H9N3OS/c1-4(2)6-9-3-5-7(10-6)11-8(12)13-5/h3-4H,1-2H3,(H,9,10,11,12)
InChIKeyVRPWJBWBVQQBRC-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 130232038) is 5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one is CC(C)c1ncc2sc(=O)[nH]c2n1.
What is the InChIKey of 5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
The InChIKey is VRPWJBWBVQQBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-4(2)6-9-3-5-7(10-6)11-8(12)13-5/h3-4H,1-2H3,(H,9,10,11,12).
What are the key properties of 5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?
5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 195.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 130232038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).