5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one

C11H15N3OS — CID 11806672

IUPAC5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(C)CNc1cc(=O)nc2sccn12
InChIInChI=1S/C11H15N3OS/c1-11(2,3)7-12-8-6-9(15)13-10-14(8)4-5-16-10/h4-6,12H,7H2,1-3H3
InChIKeyCMZJNAGUESNAAY-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.21
Rot. Bonds2

About 5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one (PubChem CID 11806672) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
PubChem CID11806672
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESCC(C)(C)CNc1cc(=O)nc2sccn12
InChIInChI=1S/C11H15N3OS/c1-11(2,3)7-12-8-6-9(15)13-10-14(8)4-5-16-10/h4-6,12H,7H2,1-3H3
InChIKeyCMZJNAGUESNAAY-UHFFFAOYSA-N
XLogP2.21
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CID 11806672) is 5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one is CC(C)(C)CNc1cc(=O)nc2sccn12.
What is the InChIKey of 5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is CMZJNAGUESNAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-11(2,3)7-12-8-6-9(15)13-10-14(8)4-5-16-10/h4-6,12H,7H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 237.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropylamino)-[1,3]thiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 11806672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).