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

C20H22N6O2S — CID 3193667

IUPACN-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESCOCCn1nnnc1C(c1cccs1)N(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
InChIKeyVZWZRGZCFVSRRK-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.16
Rot. Bonds10

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

N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 3193667) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID3193667
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESCOCCn1nnnc1C(c1cccs1)N(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
InChIKeyVZWZRGZCFVSRRK-UHFFFAOYSA-N
XLogP3.16
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine (CID 3193667) is N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine is COCCn1nnnc1C(c1cccs1)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is VZWZRGZCFVSRRK-UHFFFAOYSA-N. 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.
What are the key properties of N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 410.50 g/mol, XLogP of 3.16, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 3193667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).