2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C17H18N6O2S — CID 91772032

IUPAC2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(-n2cnnn2)cc1)N1CCCCC1c1nccs1
InChIInChI=1S/C17H18N6O2S/c24-16(22-9-2-1-3-15(22)17-18-8-10-26-17)11-25-14-6-4-13(5-7-14)23-12-19-20-21-23/h4-8,10,12,15H,1-3,9,11H2
InChIKeyXIUFDTWAPINNMQ-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.25
Rot. Bonds5

About 2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 91772032) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID91772032
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(-n2cnnn2)cc1)N1CCCCC1c1nccs1
InChIInChI=1S/C17H18N6O2S/c24-16(22-9-2-1-3-15(22)17-18-8-10-26-17)11-25-14-6-4-13(5-7-14)23-12-19-20-21-23/h4-8,10,12,15H,1-3,9,11H2
InChIKeyXIUFDTWAPINNMQ-UHFFFAOYSA-N
XLogP2.25
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2R)-2-ethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 95253981
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
2-quinazolin-4-yloxy-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 91782874
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
3-[(2R)-oxolan-2-yl]-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761192
[4-(tetrazol-1-ylmethyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95148870
2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 99972667
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
3-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761205
4-piperidin-1-yl-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97194601
3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086651

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 91772032) is 2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is O=C(COc1ccc(-n2cnnn2)cc1)N1CCCCC1c1nccs1.
What is the InChIKey of 2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is XIUFDTWAPINNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c24-16(22-9-2-1-3-15(22)17-18-8-10-26-17)11-25-14-6-4-13(5-7-14)23-12-19-20-21-23/h4-8,10,12,15H,1-3,9,11H2.
What are the key properties of 2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 370.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazol-1-yl)phenoxy]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91772032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).