7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H20N4O2S — CID 16867885

IUPAC7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H20N4O2S/c1-10-7-13(20)18-11(9-21-14(18)15-10)8-12(19)17-5-3-16(2)4-6-17/h7,11H,3-6,8-9H2,1-2H3
InChIKeyYWQOUNULILBYME-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.36
Rot. Bonds2

About 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16867885) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16867885
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H20N4O2S/c1-10-7-13(20)18-11(9-21-14(18)15-10)8-12(19)17-5-3-16(2)4-6-17/h7,11H,3-6,8-9H2,1-2H3
InChIKeyYWQOUNULILBYME-UHFFFAOYSA-N
XLogP0.36
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16867885) is 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2c(n1)SCC2CC(=O)N1CCN(C)CC1.
What is the InChIKey of 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YWQOUNULILBYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-7-13(20)18-11(9-21-14(18)15-10)8-12(19)17-5-3-16(2)4-6-17/h7,11H,3-6,8-9H2,1-2H3.
What are the key properties of 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 308.41 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16867885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).