3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione

C10H17N3OS — CID 43348255

IUPAC3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1CCCN1CCOCC1
InChIInChI=1S/C10H17N3OS/c15-10-11-2-5-13(10)4-1-3-12-6-8-14-9-7-12/h2,5H,1,3-4,6-9H2,(H,11,15)
InChIKeyFQYKCPHANQWKAX-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.27
Rot. Bonds4

About 3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione

3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione (PubChem CID 43348255) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione
PubChem CID43348255
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1CCCN1CCOCC1
InChIInChI=1S/C10H17N3OS/c15-10-11-2-5-13(10)4-1-3-12-6-8-14-9-7-12/h2,5H,1,3-4,6-9H2,(H,11,15)
InChIKeyFQYKCPHANQWKAX-UHFFFAOYSA-N
XLogP1.27
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione (CID 43348255) is 3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione is S=c1[nH]ccn1CCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione?
The InChIKey is FQYKCPHANQWKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c15-10-11-2-5-13(10)4-1-3-12-6-8-14-9-7-12/h2,5H,1,3-4,6-9H2,(H,11,15).
What are the key properties of 3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione?
3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione has a molecular weight of 227.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropyl)-1H-imidazole-2-thione is sourced from PubChem (CID 43348255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).