7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C10H12N2OS — CID 23545584

IUPAC7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1c(C)nc2sccn2c1=O
InChIInChI=1S/C10H12N2OS/c1-3-4-8-7(2)11-10-12(9(8)13)5-6-14-10/h5-6H,3-4H2,1-2H3
InChIKeyAYRWMQHFHBBTCC-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.02
Rot. Bonds2

About 7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 23545584) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID23545584
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1c(C)nc2sccn2c1=O
InChIInChI=1S/C10H12N2OS/c1-3-4-8-7(2)11-10-12(9(8)13)5-6-14-10/h5-6H,3-4H2,1-2H3
InChIKeyAYRWMQHFHBBTCC-UHFFFAOYSA-N
XLogP2.02
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 23545584) is 7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCc1c(C)nc2sccn2c1=O.
What is the InChIKey of 7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AYRWMQHFHBBTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-3-4-8-7(2)11-10-12(9(8)13)5-6-14-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 208.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-propyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 23545584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).