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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Related Compounds

3-(4,6-dichloro-5-iodopyrimidin-2-yl)-4-methylthiomorpholine
CID 103595131
3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106446176
5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine
CID 106445744
6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine
CID 106445757
3-[5-(1-chloroethyl)-4-methylpyrimidin-2-yl]-4-methylthiomorpholine
CID 106445947
4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine
CID 106446147
[6-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-yl]methanol
CID 106445941
3-[4-(chloromethyl)pyrimidin-2-yl]-4-methylthiomorpholine
CID 106445944
3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 106445899
3-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-methylthiomorpholine
CID 103595121
5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 106445664
3-(5-bromo-4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylthiomorpholine
CID 103595140

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).