N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine

C23H26N6OS — CID 646772

IUPACN-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOCCn1nnnc1C(c1ccccn1)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C23H26N6OS/c1-30-16-15-29-23(25-26-27-29)22(21-11-5-6-13-24-21)28(18-20-10-7-17-31-20)14-12-19-8-3-2-4-9-19/h2-11,13,17,22H,12,14-16,18H2,1H3
InChIKeyXCGUHXHQWPUCOL-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.61
Rot. Bonds11

About N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine

N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 646772) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID646772
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC NameN-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOCCn1nnnc1C(c1ccccn1)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C23H26N6OS/c1-30-16-15-29-23(25-26-27-29)22(21-11-5-6-13-24-21)28(18-20-10-7-17-31-20)14-12-19-8-3-2-4-9-19/h2-11,13,17,22H,12,14-16,18H2,1H3
InChIKeyXCGUHXHQWPUCOL-UHFFFAOYSA-N
XLogP3.61
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine (CID 646772) is N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine is COCCn1nnnc1C(c1ccccn1)N(CCc1ccccc1)Cc1cccs1.
What is the InChIKey of N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is XCGUHXHQWPUCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-30-16-15-29-23(25-26-27-29)22(21-11-5-6-13-24-21)28(18-20-10-7-17-31-20)14-12-19-8-3-2-4-9-19/h2-11,13,17,22H,12,14-16,18H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 434.57 g/mol, XLogP of 3.61, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 646772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).