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

C13H18N4OS — CID 55104439

IUPAC3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCNCC3C)cc(=O)n12
InChIInChI=1S/C13H18N4OS/c1-9-6-14-3-4-16(9)7-11-5-12(18)17-10(2)8-19-13(17)15-11/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeyUQEZZUVRGDRVHC-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.86
Rot. Bonds2

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

3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 55104439) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID55104439
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCNCC3C)cc(=O)n12
InChIInChI=1S/C13H18N4OS/c1-9-6-14-3-4-16(9)7-11-5-12(18)17-10(2)8-19-13(17)15-11/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeyUQEZZUVRGDRVHC-UHFFFAOYSA-N
XLogP0.86
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 55104439) is 3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN3CCNCC3C)cc(=O)n12.
What is the InChIKey of 3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UQEZZUVRGDRVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-9-6-14-3-4-16(9)7-11-5-12(18)17-10(2)8-19-13(17)15-11/h5,8-9,14H,3-4,6-7H2,1-2H3.
What are the key properties of 3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 278.38 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 55104439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).