1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone

C18H19N5OS — CID 136548773

IUPAC1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-n2cnnc2)cc1)N1CCN(c2cccs2)CC1
InChIInChI=1S/C18H19N5OS/c24-17(21-7-9-22(10-8-21)18-2-1-11-25-18)12-15-3-5-16(6-4-15)23-13-19-20-14-23/h1-6,11,13-14H,7-10,12H2
InChIKeySLIZCSATYKFHBF-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.22
Rot. Bonds4

About 1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone

1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone (PubChem CID 136548773) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
PubChem CID136548773
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-n2cnnc2)cc1)N1CCN(c2cccs2)CC1
InChIInChI=1S/C18H19N5OS/c24-17(21-7-9-22(10-8-21)18-2-1-11-25-18)12-15-3-5-16(6-4-15)23-13-19-20-14-23/h1-6,11,13-14H,7-10,12H2
InChIKeySLIZCSATYKFHBF-UHFFFAOYSA-N
XLogP2.22
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
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CID 166251450
(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 119894758
(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119894757
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
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CID 41233311
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
[4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 122143430
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
2,4-dimethyl-5-[3-oxo-3-(4-thiophen-2-ylpiperazin-1-yl)propyl]-1H-pyrimidin-6-one
CID 136514367
1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
CID 154870166
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Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone?
The IUPAC name of 1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone (CID 136548773) is 1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone?
The canonical SMILES for 1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone is O=C(Cc1ccc(-n2cnnc2)cc1)N1CCN(c2cccs2)CC1.
What is the InChIKey of 1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone?
The InChIKey is SLIZCSATYKFHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-17(21-7-9-22(10-8-21)18-2-1-11-25-18)12-15-3-5-16(6-4-15)23-13-19-20-14-23/h1-6,11,13-14H,7-10,12H2.
What are the key properties of 1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone?
1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone has a molecular weight of 353.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 136548773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).