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

C8H9N3OS — CID 145415645

IUPAC7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(N)nc2scc(C)n2c1=O
InChIInChI=1S/C8H9N3OS/c1-4-3-13-8-10-6(9)5(2)7(12)11(4)8/h3H,9H2,1-2H3
InChIKeyNUCUWXBQJWPOJY-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.96
Rot. Bonds

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

7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 145415645) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID145415645
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(N)nc2scc(C)n2c1=O
InChIInChI=1S/C8H9N3OS/c1-4-3-13-8-10-6(9)5(2)7(12)11(4)8/h3H,9H2,1-2H3
InChIKeyNUCUWXBQJWPOJY-UHFFFAOYSA-N
XLogP0.96
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 145415645) is 7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1c(N)nc2scc(C)n2c1=O.
What is the InChIKey of 7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NUCUWXBQJWPOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-4-3-13-8-10-6(9)5(2)7(12)11(4)8/h3H,9H2,1-2H3.
What are the key properties of 7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 195.25 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3,6-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 145415645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).