3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine

C7H10IN3S2 — CID 106446173

IUPAC3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine
SMILESCN1CCSCC1c1nsc(I)n1
InChIInChI=1S/C7H10IN3S2/c1-11-2-3-12-4-5(11)6-9-7(8)13-10-6/h5H,2-4H2,1H3
InChIKeyXDSLRKXLYJKBHN-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.86
Rot. Bonds1

About 3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine

3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine (PubChem CID 106446173) has the molecular formula C7H10IN3S2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine.

Molecular Properties

Compound Name3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine
PubChem CID106446173
Molecular FormulaC7H10IN3S2
Molecular Weight327.22 g/mol
Exact Mass326.94
IUPAC Name3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine
SMILESCN1CCSCC1c1nsc(I)n1
InChIInChI=1S/C7H10IN3S2/c1-11-2-3-12-4-5(11)6-9-7(8)13-10-6/h5H,2-4H2,1H3
InChIKeyXDSLRKXLYJKBHN-UHFFFAOYSA-N
XLogP1.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine?
The IUPAC name of 3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine (CID 106446173) is 3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine.
What is the SMILES notation for 3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine?
The canonical SMILES for 3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine is CN1CCSCC1c1nsc(I)n1.
What is the InChIKey of 3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine?
The InChIKey is XDSLRKXLYJKBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3S2/c1-11-2-3-12-4-5(11)6-9-7(8)13-10-6/h5H,2-4H2,1H3.
What are the key properties of 3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine?
3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine has a molecular weight of 327.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine is sourced from PubChem (CID 106446173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).