2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H16N4OS — CID 175961810

IUPAC2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(c2cn3c(=O)ccnc3s2)CC(C)N1
InChIInChI=1S/C12H16N4OS/c1-8-5-15(6-9(2)14-8)11-7-16-10(17)3-4-13-12(16)18-11/h3-4,7-9,14H,5-6H2,1-2H3
InChIKeyHLQNXTDLJZRAQJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.94
Rot. Bonds1

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

2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 175961810) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID175961810
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(c2cn3c(=O)ccnc3s2)CC(C)N1
InChIInChI=1S/C12H16N4OS/c1-8-5-15(6-9(2)14-8)11-7-16-10(17)3-4-13-12(16)18-11/h3-4,7-9,14H,5-6H2,1-2H3
InChIKeyHLQNXTDLJZRAQJ-UHFFFAOYSA-N
XLogP0.94
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(piperazin-1-ylmethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7131503
2-(4,7-Diazaspiro[2.5]octan-7-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 175876201
2-Piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 175961820
7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655247
7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655249
7-(Piperazine-1,4-diium-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7131502
7-[(4-Ethylpiperazine-1,4-diium-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8066883
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 39757818
7-[[Methyl(piperidin-4-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43607183
6-[[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 44782688
2-[2-[Di(propan-2-yl)amino]ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 47053054
3-Methyl-7-[(2-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55104439

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 175961810) is 2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CN(c2cn3c(=O)ccnc3s2)CC(C)N1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HLQNXTDLJZRAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-5-15(6-9(2)14-8)11-7-16-10(17)3-4-13-12(16)18-11/h3-4,7-9,14H,5-6H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 264.35 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 175961810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).