7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride

C17H18Cl2N4OS — CID 120771277

IUPAC7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(CN2CCNCC2c2cccc(Cl)c2)nc2sccn12
InChIInChI=1S/C17H17ClN4OS.ClH/c18-13-3-1-2-12(8-13)15-10-19-4-5-21(15)11-14-9-16(23)22-6-7-24-17(22)20-14;/h1-3,6-9,15,19H,4-5,10-11H2;1H
InChIKeyAGJVAFXATFECGJ-UHFFFAOYSA-N
MW397.33 g/mol
LogP2.98
Rot. Bonds3

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

7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (PubChem CID 120771277) has the molecular formula C17H18Cl2N4OS and a molecular weight of 397.33 g/mol. Its IUPAC name is 7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
PubChem CID120771277
Molecular FormulaC17H18Cl2N4OS
Molecular Weight397.33 g/mol
Exact Mass396.06
IUPAC Name7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCl.O=c1cc(CN2CCNCC2c2cccc(Cl)c2)nc2sccn12
InChIInChI=1S/C17H17ClN4OS.ClH/c18-13-3-1-2-12(8-13)15-10-19-4-5-21(15)11-14-9-16(23)22-6-7-24-17(22)20-14;/h1-3,6-9,15,19H,4-5,10-11H2;1H
InChIKeyAGJVAFXATFECGJ-UHFFFAOYSA-N
XLogP2.98
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
CID 120780162
7-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464868
7-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92830397
2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120780202
7-[[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95903208
7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 71986544
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 120771242
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 120780059
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (CID 120771277) is 7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is Cl.O=c1cc(CN2CCNCC2c2cccc(Cl)c2)nc2sccn12.
What is the InChIKey of 7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The InChIKey is AGJVAFXATFECGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS.ClH/c18-13-3-1-2-12(8-13)15-10-19-4-5-21(15)11-14-9-16(23)22-6-7-24-17(22)20-14;/h1-3,6-9,15,19H,4-5,10-11H2;1H.
What are the key properties of 7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride has a molecular weight of 397.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 120771277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).