2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid

C14H17F3N6O3S — CID 154887864

IUPAC2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESO=C(Cn1cnnn1)N1CCN(Cc2cccs2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16N6OS.C2HF3O2/c19-12(9-18-10-13-14-15-18)17-5-3-16(4-6-17)8-11-2-1-7-20-11;3-2(4,5)1(6)7/h1-2,7,10H,3-6,8-9H2;(H,6,7)
InChIKeyFZACCNKIJDZEIG-UHFFFAOYSA-N
MW406.39 g/mol
LogP0.71
Rot. Bonds4

About 2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid

2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 154887864) has the molecular formula C14H17F3N6O3S and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID154887864
Molecular FormulaC14H17F3N6O3S
Molecular Weight406.39 g/mol
Exact Mass406.10
IUPAC Name2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESO=C(Cn1cnnn1)N1CCN(Cc2cccs2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16N6OS.C2HF3O2/c19-12(9-18-10-13-14-15-18)17-5-3-16(4-6-17)8-11-2-1-7-20-11;3-2(4,5)1(6)7/h1-2,7,10H,3-6,8-9H2;(H,6,7)
InChIKeyFZACCNKIJDZEIG-UHFFFAOYSA-N
XLogP0.71
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 110854151
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 78905080
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
(2S)-3-phenyl-2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 35384521
1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 78801508
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834140
3-amino-3-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 119952779
3-amino-3-methyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 64683895
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78905090
2-(butan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671567

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid (CID 154887864) is 2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid is O=C(Cn1cnnn1)N1CCN(Cc2cccs2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is FZACCNKIJDZEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS.C2HF3O2/c19-12(9-18-10-13-14-15-18)17-5-3-16(4-6-17)8-11-2-1-7-20-11;3-2(4,5)1(6)7/h1-2,7,10H,3-6,8-9H2;(H,6,7).
What are the key properties of 2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 406.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).