1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one

C15H15N5O2S — CID 167901987

IUPAC1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one
SMILESO=C1CCC(O)CN1Cc1cn(-c2ccc3ncsc3c2)nn1
InChIInChI=1S/C15H15N5O2S/c21-12-2-4-15(22)19(8-12)6-10-7-20(18-17-10)11-1-3-13-14(5-11)23-9-16-13/h1,3,5,7,9,12,21H,2,4,6,8H2
InChIKeyLKMSNJRMWSYXPC-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.36
Rot. Bonds3

About 1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one

1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one (PubChem CID 167901987) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one
PubChem CID167901987
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one
SMILESO=C1CCC(O)CN1Cc1cn(-c2ccc3ncsc3c2)nn1
InChIInChI=1S/C15H15N5O2S/c21-12-2-4-15(22)19(8-12)6-10-7-20(18-17-10)11-1-3-13-14(5-11)23-9-16-13/h1,3,5,7,9,12,21H,2,4,6,8H2
InChIKeyLKMSNJRMWSYXPC-UHFFFAOYSA-N
XLogP1.36
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol
CID 107806561
1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one
CID 59636211
[1-(1,3-benzothiazol-6-yl)pyrrolidin-3-yl]methanol
CID 107806610
1-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 75453950
1-(1,3-benzothiazol-6-yl)-3-propyl-1,4-diazepane-2,5-dione
CID 107806718
1-(1,3-benzothiazol-6-yl)-5-methyltriazole-4-carboxylic acid
CID 114003282
1-(1,3-benzothiazol-5-yl)-4-hydroxypyrrolidin-2-one
CID 168703402
1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one
CID 114002787
1-(1,3-benzothiazol-6-yl)-3-ethylpiperazine-2,5-dione
CID 107806702
4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol
CID 107803944
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106122209
methyl 1-(1,3-benzothiazol-6-yl)azetidine-2-carboxylate
CID 107802150

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one?
The IUPAC name of 1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one (CID 167901987) is 1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one.
What is the SMILES notation for 1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one?
The canonical SMILES for 1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one is O=C1CCC(O)CN1Cc1cn(-c2ccc3ncsc3c2)nn1.
What is the InChIKey of 1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one?
The InChIKey is LKMSNJRMWSYXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c21-12-2-4-15(22)19(8-12)6-10-7-20(18-17-10)11-1-3-13-14(5-11)23-9-16-13/h1,3,5,7,9,12,21H,2,4,6,8H2.
What are the key properties of 1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one?
1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one has a molecular weight of 329.39 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one is sourced from PubChem (CID 167901987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).