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

C11H14ClN4OS- — CID 53352301

IUPAC7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride
SMILESO=c1cc(CN2CCNCC2)nc2sccn12.[Cl-]
InChIInChI=1S/C11H14N4OS.ClH/c16-10-7-9(8-14-3-1-12-2-4-14)13-11-15(10)5-6-17-11;/h5-7,12H,1-4,8H2;1H/p-1
InChIKeyRVPVIWFXZZITMW-UHFFFAOYSA-M
MW285.78 g/mol
LogP-2.83
Rot. Bonds2

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

7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride (PubChem CID 53352301) has the molecular formula C11H14ClN4OS- and a molecular weight of 285.78 g/mol. Its IUPAC name is 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride.

Molecular Properties

Compound Name7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride
PubChem CID53352301
Molecular FormulaC11H14ClN4OS-
Molecular Weight285.78 g/mol
Exact Mass285.06
IUPAC Name7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride
SMILESO=c1cc(CN2CCNCC2)nc2sccn12.[Cl-]
InChIInChI=1S/C11H14N4OS.ClH/c16-10-7-9(8-14-3-1-12-2-4-14)13-11-15(10)5-6-17-11;/h5-7,12H,1-4,8H2;1H/p-1
InChIKeyRVPVIWFXZZITMW-UHFFFAOYSA-M
XLogP-2.83
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 5-2.83
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
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-(Piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2122913
7-[(Prop-2-ynylamino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8105669
7-[[3-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167781422
7-[[3-Aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167882868
4-methyl-2-(5H-[1,3]thiazolo[3,2-a]pyrimidin-7-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 139472174
2-Piperazin-1-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 175961820
7-(Piperidin-1-ium-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2122912
7-(Morpholin-4-ium-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2549304
7-[(4-Methylpiperidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655083

Frequently Asked Questions

What is the IUPAC name of 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride?
The IUPAC name of 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride (CID 53352301) is 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride.
What is the SMILES notation for 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride?
The canonical SMILES for 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride is O=c1cc(CN2CCNCC2)nc2sccn12.[Cl-].
What is the InChIKey of 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride?
The InChIKey is RVPVIWFXZZITMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N4OS.ClH/c16-10-7-9(8-14-3-1-12-2-4-14)13-11-15(10)5-6-17-11;/h5-7,12H,1-4,8H2;1H/p-1.
What are the key properties of 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride?
7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride has a molecular weight of 285.78 g/mol, XLogP of -2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride is sourced from PubChem (CID 53352301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).