furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium

C20H23N6O2S+ — CID 7140903

IUPACfuran-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium
SMILESCOCCn1nnnc1[C@@H](c1cccs1)[NH+](Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C20H22N6O2S/c1-27-11-9-26-20(22-23-24-26)19(18-7-4-12-29-18)25(15-17-6-3-10-28-17)14-16-5-2-8-21-13-16/h2-8,10,12-13,19H,9,11,14-15H2,1H3/p+1/t19-/m1/s1
InChIKeyVZWZRGZCFVSRRK-LJQANCHMSA-O
MW411.51 g/mol
LogP1.74
Rot. Bonds10

About furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium

furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium (PubChem CID 7140903) has the molecular formula C20H23N6O2S+ and a molecular weight of 411.51 g/mol. Its IUPAC name is furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium
PubChem CID7140903
Molecular FormulaC20H23N6O2S+
Molecular Weight411.51 g/mol
Exact Mass411.16
IUPAC Namefuran-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium
SMILESCOCCn1nnnc1[C@@H](c1cccs1)[NH+](Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C20H22N6O2S/c1-27-11-9-26-20(22-23-24-26)19(18-7-4-12-29-18)25(15-17-6-3-10-28-17)14-16-5-2-8-21-13-16/h2-8,10,12-13,19H,9,11,14-15H2,1H3/p+1/t19-/m1/s1
InChIKeyVZWZRGZCFVSRRK-LJQANCHMSA-O
XLogP1.74
TPSA83.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-(thiophen-2-ylmethyl)azanium
CID 7140985
1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 3193670
benzyl-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-4-ylmethyl]-(furan-2-ylmethyl)azanium
CID 6985898
benzyl-[(2-chlorophenyl)methyl]-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium
CID 7140928
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-pyridin-3-ylpropan-1-amine
CID 105184332
(1S)-N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 1438997
1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 3193663
1-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-pyridin-3-ylethanone
CID 118778786
furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
CID 7391486
furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
CID 644981
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7140828
furan-2-yl-[4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperazin-1-yl]methanone
CID 25413074

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium?
The IUPAC name of furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium (CID 7140903) is furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium.
What is the SMILES notation for furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium?
The canonical SMILES for furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium is COCCn1nnnc1[C@@H](c1cccs1)[NH+](Cc1cccnc1)Cc1ccco1.
What is the InChIKey of furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium?
The InChIKey is VZWZRGZCFVSRRK-LJQANCHMSA-O. The full InChI is InChI=1S/C20H22N6O2S/c1-27-11-9-26-20(22-23-24-26)19(18-7-4-12-29-18)25(15-17-6-3-10-28-17)14-16-5-2-8-21-13-16/h2-8,10,12-13,19H,9,11,14-15H2,1H3/p+1/t19-/m1/s1.
What are the key properties of furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium?
furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium has a molecular weight of 411.51 g/mol, XLogP of 1.74, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium is sourced from PubChem (CID 7140903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).