3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H18N4O3S2 — CID 22432742

IUPAC3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C13H18N4O3S2/c1-9-8-21-13-14-10(2)11(12(18)17(9)13)22(19,20)16-6-4-15(3)5-7-16/h8H,4-7H2,1-3H3
InChIKeyOPNCFDKAPBTJPK-UHFFFAOYSA-N
MW342.45 g/mol
LogP0.31
Rot. Bonds2

About 3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 22432742) has the molecular formula C13H18N4O3S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID22432742
Molecular FormulaC13H18N4O3S2
Molecular Weight342.45 g/mol
Exact Mass342.08
IUPAC Name3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C13H18N4O3S2/c1-9-8-21-13-14-10(2)11(12(18)17(9)13)22(19,20)16-6-4-15(3)5-7-16/h8H,4-7H2,1-3H3
InChIKeyOPNCFDKAPBTJPK-UHFFFAOYSA-N
XLogP0.31
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 22432742) is 3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OPNCFDKAPBTJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S2/c1-9-8-21-13-14-10(2)11(12(18)17(9)13)22(19,20)16-6-4-15(3)5-7-16/h8H,4-7H2,1-3H3.
What are the key properties of 3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 342.45 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 22432742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).