4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione

C9H15N3OS — CID 67742968

IUPAC4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione
SMILESCC(c1c[nH]c(=S)[nH]1)N1CCOCC1
InChIInChI=1S/C9H15N3OS/c1-7(8-6-10-9(14)11-8)12-2-4-13-5-3-12/h6-7H,2-5H2,1H3,(H2,10,11,14)
InChIKeyRTPDKAPTPPEVDT-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.47
Rot. Bonds2

About 4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione

4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione (PubChem CID 67742968) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione
PubChem CID67742968
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione
SMILESCC(c1c[nH]c(=S)[nH]1)N1CCOCC1
InChIInChI=1S/C9H15N3OS/c1-7(8-6-10-9(14)11-8)12-2-4-13-5-3-12/h6-7H,2-5H2,1H3,(H2,10,11,14)
InChIKeyRTPDKAPTPPEVDT-UHFFFAOYSA-N
XLogP1.47
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione (CID 67742968) is 4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione is CC(c1c[nH]c(=S)[nH]1)N1CCOCC1.
What is the InChIKey of 4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is RTPDKAPTPPEVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7(8-6-10-9(14)11-8)12-2-4-13-5-3-12/h6-7H,2-5H2,1H3,(H2,10,11,14).
What are the key properties of 4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione?
4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 213.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 67742968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).