6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine

C14H20N4OS — CID 23312380

IUPAC6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine
SMILESCCOc1cccc(NCCSCc2nc[nH]c2C)n1
InChIInChI=1S/C14H20N4OS/c1-3-19-14-6-4-5-13(18-14)15-7-8-20-9-12-11(2)16-10-17-12/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyUHZJLCYZWWIISA-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.86
Rot. Bonds8

About 6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine

6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine (PubChem CID 23312380) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine
PubChem CID23312380
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine
SMILESCCOc1cccc(NCCSCc2nc[nH]c2C)n1
InChIInChI=1S/C14H20N4OS/c1-3-19-14-6-4-5-13(18-14)15-7-8-20-9-12-11(2)16-10-17-12/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyUHZJLCYZWWIISA-UHFFFAOYSA-N
XLogP2.86
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine?
The IUPAC name of 6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine (CID 23312380) is 6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine is CCOc1cccc(NCCSCc2nc[nH]c2C)n1.
What is the InChIKey of 6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine?
The InChIKey is UHZJLCYZWWIISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-19-14-6-4-5-13(18-14)15-7-8-20-9-12-11(2)16-10-17-12/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine?
6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine has a molecular weight of 292.41 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]pyridin-2-amine is sourced from PubChem (CID 23312380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).