2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine

C12H15N3OS2 — CID 80651411

IUPAC2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1ccc(Sc2nccs2)nc1
InChIInChI=1S/C12H15N3OS2/c1-16-6-4-13-8-10-2-3-11(15-9-10)18-12-14-5-7-17-12/h2-3,5,7,9,13H,4,6,8H2,1H3
InChIKeyCLKFYYYRSZQLKS-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.43
Rot. Bonds7

About 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine

2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine (PubChem CID 80651411) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
PubChem CID80651411
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1ccc(Sc2nccs2)nc1
InChIInChI=1S/C12H15N3OS2/c1-16-6-4-13-8-10-2-3-11(15-9-10)18-12-14-5-7-17-12/h2-3,5,7,9,13H,4,6,8H2,1H3
InChIKeyCLKFYYYRSZQLKS-UHFFFAOYSA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

2-methoxy-N-[(6-pyrimidin-4-ylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80651407
N-[[3-chloro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 81159551
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80639378
N-[[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650841
2-methoxy-N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80628728
N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 106926746
N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 102926136
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650909
N-[[5-chloro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 114864733
N-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80651024
2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide
CID 114231429
N-[[4-(1,3-thiazol-2-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 55239074

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine (CID 80651411) is 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine is COCCNCc1ccc(Sc2nccs2)nc1.
What is the InChIKey of 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is CLKFYYYRSZQLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-16-6-4-13-8-10-2-3-11(15-9-10)18-12-14-5-7-17-12/h2-3,5,7,9,13H,4,6,8H2,1H3.
What are the key properties of 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine?
2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 281.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80651411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).