7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride

C14H20ClN5O2S — CID 119915215

IUPAC7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1cc(=O)n2ccsc2n1.Cl
InChIInChI=1S/C14H19N5O2S.ClH/c1-17(10-13(21)18-4-2-15-3-5-18)9-11-8-12(20)19-6-7-22-14(19)16-11;/h6-8,15H,2-5,9-10H2,1H3;1H
InChIKeyJEFQATSPOJNMLA-UHFFFAOYSA-N
MW357.87 g/mol
LogP0.04
Rot. Bonds4

About 7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride

7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (PubChem CID 119915215) has the molecular formula C14H20ClN5O2S and a molecular weight of 357.87 g/mol. Its IUPAC name is 7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
PubChem CID119915215
Molecular FormulaC14H20ClN5O2S
Molecular Weight357.87 g/mol
Exact Mass357.10
IUPAC Name7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1cc(=O)n2ccsc2n1.Cl
InChIInChI=1S/C14H19N5O2S.ClH/c1-17(10-13(21)18-4-2-15-3-5-18)9-11-8-12(20)19-6-7-22-14(19)16-11;/h6-8,15H,2-5,9-10H2,1H3;1H
InChIKeyJEFQATSPOJNMLA-UHFFFAOYSA-N
XLogP0.04
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62686087
7-[[2-hydroxypropyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62332981
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9338173
2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 63646465
2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914930
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51250244
7-[[cyclopentyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51282017
7-[(3-piperazin-1-ylazetidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66195220
2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 137136908
7-[[cyclohexyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4238274
2-[(2-chloro-4-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62470919
7-[[methyl-(4-methylcyclohexyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47113217

Frequently Asked Questions

What is the IUPAC name of 7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (CID 119915215) is 7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is CN(CC(=O)N1CCNCC1)Cc1cc(=O)n2ccsc2n1.Cl.
What is the InChIKey of 7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The InChIKey is JEFQATSPOJNMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S.ClH/c1-17(10-13(21)18-4-2-15-3-5-18)9-11-8-12(20)19-6-7-22-14(19)16-11;/h6-8,15H,2-5,9-10H2,1H3;1H.
What are the key properties of 7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride has a molecular weight of 357.87 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 119915215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).