7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H18N4O2S — CID 2535899

IUPAC7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(c3ccccc3O)CC2)nc2sccn12
InChIInChI=1S/C17H18N4O2S/c22-15-4-2-1-3-14(15)20-7-5-19(6-8-20)12-13-11-16(23)21-9-10-24-17(21)18-13/h1-4,9-11,22H,5-8,12H2
InChIKeyOVPROCQEQSMKSD-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.78
Rot. Bonds3

About 7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2535899) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2535899
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(c3ccccc3O)CC2)nc2sccn12
InChIInChI=1S/C17H18N4O2S/c22-15-4-2-1-3-14(15)20-7-5-19(6-8-20)12-13-11-16(23)21-9-10-24-17(21)18-13/h1-4,9-11,22H,5-8,12H2
InChIKeyOVPROCQEQSMKSD-UHFFFAOYSA-N
XLogP1.78
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2535899) is 7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCN(c3ccccc3O)CC2)nc2sccn12.
What is the InChIKey of 7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OVPROCQEQSMKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-15-4-2-1-3-14(15)20-7-5-19(6-8-20)12-13-11-16(23)21-9-10-24-17(21)18-13/h1-4,9-11,22H,5-8,12H2.
What are the key properties of 7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 342.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2535899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).