7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H10N2OS — CID 12046258

IUPAC7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)c1cc(=O)n2ccsc2n1
InChIInChI=1S/C9H10N2OS/c1-6(2)7-5-8(12)11-3-4-13-9(11)10-7/h3-6H,1-2H3
InChIKeyVRTNAPWOIUNDNU-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.88
Rot. Bonds1

About 7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 12046258) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID12046258
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)c1cc(=O)n2ccsc2n1
InChIInChI=1S/C9H10N2OS/c1-6(2)7-5-8(12)11-3-4-13-9(11)10-7/h3-6H,1-2H3
InChIKeyVRTNAPWOIUNDNU-UHFFFAOYSA-N
XLogP1.88
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 12046258) is 7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)c1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VRTNAPWOIUNDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6(2)7-5-8(12)11-3-4-13-9(11)10-7/h3-6H,1-2H3.
What are the key properties of 7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 194.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 12046258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).