2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine

C5H11N3S — CID 20915

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine
SMILESNCCSC1=NCCN1
InChIInChI=1S/C5H11N3S/c6-1-4-9-5-7-2-3-8-5/h1-4,6H2,(H,7,8)
InChIKeyHKWPLRVPEBQWCU-UHFFFAOYSA-N
MW145.23 g/mol
LogP-0.36
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine (PubChem CID 20915) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine
PubChem CID20915
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine
SMILESNCCSC1=NCCN1
InChIInChI=1S/C5H11N3S/c6-1-4-9-5-7-2-3-8-5/h1-4,6H2,(H,7,8)
InChIKeyHKWPLRVPEBQWCU-UHFFFAOYSA-N
XLogP-0.36
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine (CID 20915) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine is NCCSC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine?
The InChIKey is HKWPLRVPEBQWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c6-1-4-9-5-7-2-3-8-5/h1-4,6H2,(H,7,8).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine has a molecular weight of 145.23 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 20915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).