[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea

C9H15N5OS2 — CID 86761402

IUPAC[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea
SMILESNC(=S)Nc1nnc(CCN2CCOCC2)s1
InChIInChI=1S/C9H15N5OS2/c10-8(16)11-9-13-12-7(17-9)1-2-14-3-5-15-6-4-14/h1-6H2,(H3,10,11,13,16)
InChIKeyWENICGOBYYOQQT-UHFFFAOYSA-N
MW273.39 g/mol
LogP0.07
Rot. Bonds4

About [5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea

[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea (PubChem CID 86761402) has the molecular formula C9H15N5OS2 and a molecular weight of 273.39 g/mol. Its IUPAC name is [5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea.

Molecular Properties

Compound Name[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea
PubChem CID86761402
Molecular FormulaC9H15N5OS2
Molecular Weight273.39 g/mol
Exact Mass273.07
IUPAC Name[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea
SMILESNC(=S)Nc1nnc(CCN2CCOCC2)s1
InChIInChI=1S/C9H15N5OS2/c10-8(16)11-9-13-12-7(17-9)1-2-14-3-5-15-6-4-14/h1-6H2,(H3,10,11,13,16)
InChIKeyWENICGOBYYOQQT-UHFFFAOYSA-N
XLogP0.07
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea?
The IUPAC name of [5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea (CID 86761402) is [5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea.
What is the SMILES notation for [5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea?
The canonical SMILES for [5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea is NC(=S)Nc1nnc(CCN2CCOCC2)s1.
What is the InChIKey of [5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea?
The InChIKey is WENICGOBYYOQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS2/c10-8(16)11-9-13-12-7(17-9)1-2-14-3-5-15-6-4-14/h1-6H2,(H3,10,11,13,16).
What are the key properties of [5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea?
[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea has a molecular weight of 273.39 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]thiourea is sourced from PubChem (CID 86761402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).