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

C23H24N6O2S — CID 648185

IUPACfuran-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H24N6O2S/c1-17-6-8-18(9-7-17)21(22-24-25-26-29(22)16-19-4-3-15-32-19)27-10-12-28(13-11-27)23(30)20-5-2-14-31-20/h2-9,14-15,21H,10-13,16H2,1H3
InChIKeyIQEXTWUYUZIZAL-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.23
Rot. Bonds6

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

furan-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 648185) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is furan-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID648185
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Namefuran-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H24N6O2S/c1-17-6-8-18(9-7-17)21(22-24-25-26-29(22)16-19-4-3-15-32-19)27-10-12-28(13-11-27)23(30)20-5-2-14-31-20/h2-9,14-15,21H,10-13,16H2,1H3
InChIKeyIQEXTWUYUZIZAL-UHFFFAOYSA-N
XLogP3.23
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (CID 648185) is furan-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is Cc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of furan-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is IQEXTWUYUZIZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-17-6-8-18(9-7-17)21(22-24-25-26-29(22)16-19-4-3-15-32-19)27-10-12-28(13-11-27)23(30)20-5-2-14-31-20/h2-9,14-15,21H,10-13,16H2,1H3.
What are the key properties of furan-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 448.55 g/mol, XLogP of 3.23, 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-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 648185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).