N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine

C17H21N5O2S — CID 17394205

IUPACN-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCN(Cc1cccs1)Cn1nnc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C17H21N5O2S/c1-4-21(11-14-6-5-9-25-14)12-22-19-17(18-20-22)13-7-8-15(23-2)16(10-13)24-3/h5-10H,4,11-12H2,1-3H3
InChIKeyJNQNAISBQVUQGM-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.90
Rot. Bonds8

About N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine

N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 17394205) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID17394205
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCN(Cc1cccs1)Cn1nnc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C17H21N5O2S/c1-4-21(11-14-6-5-9-25-14)12-22-19-17(18-20-22)13-7-8-15(23-2)16(10-13)24-3/h5-10H,4,11-12H2,1-3H3
InChIKeyJNQNAISBQVUQGM-UHFFFAOYSA-N
XLogP2.90
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(3-methylbutyl)butanamide
CID 40645580
N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide
CID 3179913
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(3-methylbutyl)propanamide
CID 40586391
1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine
CID 17394198
(2R)-N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-(5-methylfuran-2-yl)acetamide
CID 98088127
N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-(4-fluorophenyl)acetamide
CID 3174605
(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-(4-fluorophenyl)acetamide
CID 98088238
(2R)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-(4-fluorophenyl)acetamide
CID 98088240
5-(3,4-dimethoxyphenyl)-2-(2-methylsulfonylethyl)tetrazole
CID 55410639
2-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-1,3-benzothiazole
CID 1150121
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione
CID 167958699
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-(furan-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 98088730

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine (CID 17394205) is N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine is CCN(Cc1cccs1)Cn1nnc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is JNQNAISBQVUQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-4-21(11-14-6-5-9-25-14)12-22-19-17(18-20-22)13-7-8-15(23-2)16(10-13)24-3/h5-10H,4,11-12H2,1-3H3.
What are the key properties of N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 359.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 17394205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).