6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H22N4OS — CID 166193859

IUPAC6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1CCN1CCN(C)CC1C
InChIInChI=1S/C15H22N4OS/c1-11-10-17(3)6-7-18(11)5-4-13-12(2)16-15-19(14(13)20)8-9-21-15/h8-9,11H,4-7,10H2,1-3H3
InChIKeyQPIDGMNJTSCNDN-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.24
Rot. Bonds3

About 6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 166193859) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID166193859
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1CCN1CCN(C)CC1C
InChIInChI=1S/C15H22N4OS/c1-11-10-17(3)6-7-18(11)5-4-13-12(2)16-15-19(14(13)20)8-9-21-15/h8-9,11H,4-7,10H2,1-3H3
InChIKeyQPIDGMNJTSCNDN-UHFFFAOYSA-N
XLogP1.24
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 166193859) is 6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1CCN1CCN(C)CC1C.
What is the InChIKey of 6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QPIDGMNJTSCNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-11-10-17(3)6-7-18(11)5-4-13-12(2)16-15-19(14(13)20)8-9-21-15/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 306.43 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-dimethylpiperazin-1-yl)ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 166193859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).