N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine

C12H17N3OS — CID 83029559

IUPACN-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
SMILESCOCCNCCNc1nccc2sccc12
InChIInChI=1S/C12H17N3OS/c1-16-8-7-13-5-6-15-12-10-3-9-17-11(10)2-4-14-12/h2-4,9,13H,5-8H2,1H3,(H,14,15)
InChIKeyWEYWRQXMBDSDJV-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.94
Rot. Bonds7

About N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine

N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine (PubChem CID 83029559) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
PubChem CID83029559
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
SMILESCOCCNCCNc1nccc2sccc12
InChIInChI=1S/C12H17N3OS/c1-16-8-7-13-5-6-15-12-10-3-9-17-11(10)2-4-14-12/h2-4,9,13H,5-8H2,1H3,(H,14,15)
InChIKeyWEYWRQXMBDSDJV-UHFFFAOYSA-N
XLogP1.94
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N'-methyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 62586554
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 103794661
N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine
CID 107390126
N-(2-cyclopentyloxyethyl)thieno[3,2-c]pyridin-4-amine
CID 55219716
N-(2-methoxyethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106541048
N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54905473
N-[(1-methoxycyclobutyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 103989642
N-[2-(2-methylphenyl)ethyl]thieno[3,2-c]pyridin-4-amine
CID 112730428
N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54931071
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731
N-[2-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-c]pyridin-4-amine
CID 113442432
N-(2,3,3-trimethylbutyl)thieno[3,2-c]pyridin-4-amine
CID 83143600

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine (CID 83029559) is N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine is COCCNCCNc1nccc2sccc12.
What is the InChIKey of N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine?
The InChIKey is WEYWRQXMBDSDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-16-8-7-13-5-6-15-12-10-3-9-17-11(10)2-4-14-12/h2-4,9,13H,5-8H2,1H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine?
N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine has a molecular weight of 251.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 83029559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).