2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine

C11H14N4OS — CID 65209248

IUPAC2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine
SMILESCOCCNCc1snnc1-c1ccncc1
InChIInChI=1S/C11H14N4OS/c1-16-7-6-13-8-10-11(14-15-17-10)9-2-4-12-5-3-9/h2-5,13H,6-8H2,1H3
InChIKeyBAHOMHIZZNLAOU-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.34
Rot. Bonds6

About 2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine

2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 65209248) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine
PubChem CID65209248
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine
SMILESCOCCNCc1snnc1-c1ccncc1
InChIInChI=1S/C11H14N4OS/c1-16-7-6-13-8-10-11(14-15-17-10)9-2-4-12-5-3-9/h2-5,13H,6-8H2,1H3
InChIKeyBAHOMHIZZNLAOU-UHFFFAOYSA-N
XLogP1.34
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine
CID 65209580
2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
CID 65237710
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
5-[2-[4-[(2-methoxyethylamino)methyl]phenyl]-2-oxoethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 158067204
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine
CID 79817366
N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65208956
N-[[4-(3,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209284
2-methoxy-N-[(1-pyridin-4-ylcyclobutyl)methyl]ethanamine
CID 80525289
N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine
CID 64867710
2-(2-methoxyethylamino)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]acetamide;dihydrochloride
CID 119870904

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine (CID 65209248) is 2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine is COCCNCc1snnc1-c1ccncc1.
What is the InChIKey of 2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is BAHOMHIZZNLAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-16-7-6-13-8-10-11(14-15-17-10)9-2-4-12-5-3-9/h2-5,13H,6-8H2,1H3.
What are the key properties of 2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine?
2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 250.33 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 65209248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).