7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C13H18N4O2S — CID 60690141

IUPAC7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCCCC2CCO)nc2scnn12
InChIInChI=1S/C13H18N4O2S/c18-6-4-11-3-1-2-5-16(11)8-10-7-12(19)17-13(15-10)20-9-14-17/h7,9,11,18H,1-6,8H2
InChIKeyRLSHQUHLFXPKCQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.89
Rot. Bonds4

About 7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60690141) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID60690141
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCCCC2CCO)nc2scnn12
InChIInChI=1S/C13H18N4O2S/c18-6-4-11-3-1-2-5-16(11)8-10-7-12(19)17-13(15-10)20-9-14-17/h7,9,11,18H,1-6,8H2
InChIKeyRLSHQUHLFXPKCQ-UHFFFAOYSA-N
XLogP0.89
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

1-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid
CID 43440922
methyl 4-hydroxy-1-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate
CID 115971709
7-[(4-hydroxy-4-methylazepan-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 107407835
7-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 103976311
7-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 102935481
2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 60690233
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 62020101
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345630
7-[[(2S)-2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95592870
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 43621061
7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655248
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 60690531

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 60690141) is 7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCCCC2CCO)nc2scnn12.
What is the InChIKey of 7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RLSHQUHLFXPKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c18-6-4-11-3-1-2-5-16(11)8-10-7-12(19)17-13(15-10)20-9-14-17/h7,9,11,18H,1-6,8H2.
What are the key properties of 7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 294.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60690141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).