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

C12H16N4OS — CID 43090473

IUPAC3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCNCC3)cc(=O)n12
InChIInChI=1S/C12H16N4OS/c1-9-8-18-12-14-10(6-11(17)16(9)12)7-15-4-2-13-3-5-15/h6,8,13H,2-5,7H2,1H3
InChIKeyYTTOMEAEVABPLI-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.47
Rot. Bonds2

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

3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 43090473) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID43090473
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN3CCNCC3)cc(=O)n12
InChIInChI=1S/C12H16N4OS/c1-9-8-18-12-14-10(6-11(17)16(9)12)7-15-4-2-13-3-5-15/h6,8,13H,2-5,7H2,1H3
InChIKeyYTTOMEAEVABPLI-UHFFFAOYSA-N
XLogP0.47
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 24761831
N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
CID 9465877
7-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22197645
7-(piperazin-1-ylmethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7131503
7-Ethyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 168291850
7-[[4-(3-Fluoropropyl)piperazin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126822473
3-Methyl-7-[[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9439910
7-Methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 42936215
7-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride
CID 53352301
2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-amino-1H-pyrimidin-6-one
CID 135530924
1-(((2Z)-3-methyl-2-(methylimino)-2,3-dihydro-1,3-thiazol-4-yl)methyl)-2-piperazinone
CID 23131101
7-(Ethylaminomethyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile
CID 144826116

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 43090473) is 3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN3CCNCC3)cc(=O)n12.
What is the InChIKey of 3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YTTOMEAEVABPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9-8-18-12-14-10(6-11(17)16(9)12)7-15-4-2-13-3-5-15/h6,8,13H,2-5,7H2,1H3.
What are the key properties of 3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 264.35 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 43090473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).