1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone

C15H21N5OS — CID 74231419

IUPAC1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN2CCN(CCn3cncn3)CC2)cs1
InChIInChI=1S/C15H21N5OS/c1-13(21)15-8-14(10-22-15)9-19-4-2-18(3-5-19)6-7-20-12-16-11-17-20/h8,10-12H,2-7,9H2,1H3
InChIKeyDLOZERQITXYBIO-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.36
Rot. Bonds6

About 1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone

1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone (PubChem CID 74231419) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone
PubChem CID74231419
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN2CCN(CCn3cncn3)CC2)cs1
InChIInChI=1S/C15H21N5OS/c1-13(21)15-8-14(10-22-15)9-19-4-2-18(3-5-19)6-7-20-12-16-11-17-20/h8,10-12H,2-7,9H2,1H3
InChIKeyDLOZERQITXYBIO-UHFFFAOYSA-N
XLogP1.36
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

4-[(5-acetylthiophen-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 77082456
1-[4-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 91837531
1-[(4-methylsulfanylphenyl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 74235053
1-[4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 74231000
1-[4-[[(3R,4S)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 70722838
1-[(5-acetylthiophen-3-yl)methyl]pyrrolidine-2,5-dione
CID 872403
1-[4-[[4-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methyl]thiophen-2-yl]ethanone
CID 133119698
1-[4-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 74231673
1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 131008296
N-[[5-[(5-acetylthiophen-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118765127
1-[4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 26319393
1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide
CID 70864567

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone (CID 74231419) is 1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone is CC(=O)c1cc(CN2CCN(CCn3cncn3)CC2)cs1.
What is the InChIKey of 1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone?
The InChIKey is DLOZERQITXYBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-13(21)15-8-14(10-22-15)9-19-4-2-18(3-5-19)6-7-20-12-16-11-17-20/h8,10-12H,2-7,9H2,1H3.
What are the key properties of 1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone?
1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone has a molecular weight of 319.43 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 74231419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).