3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol

C16H19N3O2S — CID 56740108

IUPAC3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(-c2nccn2CCN2CCOCC2)s1
InChIInChI=1S/C16H19N3O2S/c20-11-1-2-14-3-4-15(22-14)16-17-5-6-19(16)8-7-18-9-12-21-13-10-18/h3-6,20H,7-13H2
InChIKeyWMSZFOGLMOZFFM-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.29
Rot. Bonds4

About 3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol

3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol (PubChem CID 56740108) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol
PubChem CID56740108
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(-c2nccn2CCN2CCOCC2)s1
InChIInChI=1S/C16H19N3O2S/c20-11-1-2-14-3-4-15(22-14)16-17-5-6-19(16)8-7-18-9-12-21-13-10-18/h3-6,20H,7-13H2
InChIKeyWMSZFOGLMOZFFM-UHFFFAOYSA-N
XLogP1.29
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol (CID 56740108) is 3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol is OCC#Cc1ccc(-c2nccn2CCN2CCOCC2)s1.
What is the InChIKey of 3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol?
The InChIKey is WMSZFOGLMOZFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-11-1-2-14-3-4-15(22-14)16-17-5-6-19(16)8-7-18-9-12-21-13-10-18/h3-6,20H,7-13H2.
What are the key properties of 3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol?
3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol has a molecular weight of 317.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]thiophen-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 56740108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).