6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H11N3OS — CID 46377673

IUPAC6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sc(C)c(C)n2c(=O)c1N
InChIInChI=1S/C9H11N3OS/c1-4-7(10)8(13)12-5(2)6(3)14-9(12)11-4/h10H2,1-3H3
InChIKeyJOEZRJNUHWRZNT-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.26
Rot. Bonds

About 6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 46377673) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID46377673
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sc(C)c(C)n2c(=O)c1N
InChIInChI=1S/C9H11N3OS/c1-4-7(10)8(13)12-5(2)6(3)14-9(12)11-4/h10H2,1-3H3
InChIKeyJOEZRJNUHWRZNT-UHFFFAOYSA-N
XLogP1.26
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 46377673) is 6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sc(C)c(C)n2c(=O)c1N.
What is the InChIKey of 6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JOEZRJNUHWRZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-4-7(10)8(13)12-5(2)6(3)14-9(12)11-4/h10H2,1-3H3.
What are the key properties of 6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 209.27 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 46377673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).