4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one

C16H19N5O2S — CID 146145584

IUPAC4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCOc1ccc2nc(N3CCC(n4cn[nH]c4=O)CC3)sc2c1
InChIInChI=1S/C16H19N5O2S/c1-2-23-12-3-4-13-14(9-12)24-16(18-13)20-7-5-11(6-8-20)21-10-17-19-15(21)22/h3-4,9-11H,2,5-8H2,1H3,(H,19,22)
InChIKeyHKGDBDKMPVZTOV-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.42
Rot. Bonds4

About 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one

4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one (PubChem CID 146145584) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
PubChem CID146145584
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCOc1ccc2nc(N3CCC(n4cn[nH]c4=O)CC3)sc2c1
InChIInChI=1S/C16H19N5O2S/c1-2-23-12-3-4-13-14(9-12)24-16(18-13)20-7-5-11(6-8-20)21-10-17-19-15(21)22/h3-4,9-11H,2,5-8H2,1H3,(H,19,22)
InChIKeyHKGDBDKMPVZTOV-UHFFFAOYSA-N
XLogP2.42
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 6625002
2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16941572
1-(6-ethoxy-1,3-benzothiazol-2-yl)azetidine-3-thiol
CID 142660167
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20883789
(4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 20883791
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171995182
N-(4-acetylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20883697
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one
CID 11837258
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 20886718
1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 7539057
1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 7597374
6-ethoxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3-benzothiazole
CID 90601905

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one (CID 146145584) is 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one is CCOc1ccc2nc(N3CCC(n4cn[nH]c4=O)CC3)sc2c1.
What is the InChIKey of 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is HKGDBDKMPVZTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-2-23-12-3-4-13-14(9-12)24-16(18-13)20-7-5-11(6-8-20)21-10-17-19-15(21)22/h3-4,9-11H,2,5-8H2,1H3,(H,19,22).
What are the key properties of 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 345.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 146145584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).