furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

C22H22N6O2S — CID 646537

IUPACfuran-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(c2ccccc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C22H22N6O2S/c29-22(19-9-4-14-30-19)27-12-10-26(11-13-27)20(17-6-2-1-3-7-17)21-23-24-25-28(21)16-18-8-5-15-31-18/h1-9,14-15,20H,10-13,16H2
InChIKeyFEISWSCUSGUOQO-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.92
Rot. Bonds6

About furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 646537) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID646537
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Namefuran-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(c2ccccc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C22H22N6O2S/c29-22(19-9-4-14-30-19)27-12-10-26(11-13-27)20(17-6-2-1-3-7-17)21-23-24-25-28(21)16-18-8-5-15-31-18/h1-9,14-15,20H,10-13,16H2
InChIKeyFEISWSCUSGUOQO-UHFFFAOYSA-N
XLogP2.92
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[(1-tert-Butyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-furan-2-ylmethyl-thiophen-2-ylmethyl-amine
CID 644425
Benzyl-[(1-tert-butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-furan-2-ylmethyl-amine
CID 646725
Furan-2-yl-{4-[(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-piperazin-1-yl}-methanone
CID 648185
Furan-2-yl-(4-{[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-methanone
CID 648836
Furan-2-ylmethyl-{1-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-thiophen-2-ylmethyl-amine
CID 649280
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-phenethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 649663
{4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 650097
Furan-2-yl-{4-[3-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-methanone
CID 650696
(4-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 651772
[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-furan-2-ylmethyl-thiophen-2-ylmethyl-amine
CID 653441
N-(Benzylcarbamoyl-methyl)-N-furan-2-ylmethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 653806
(4-{(4-Chloro-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655364

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (CID 646537) is furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(c2ccccc2)c2nnnn2Cc2cccs2)CC1.
What is the InChIKey of furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is FEISWSCUSGUOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c29-22(19-9-4-14-30-19)27-12-10-26(11-13-27)20(17-6-2-1-3-7-17)21-23-24-25-28(21)16-18-8-5-15-31-18/h1-9,14-15,20H,10-13,16H2.
What are the key properties of furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 434.53 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 646537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).