5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole

C7H11IN2OS — CID 102618349

IUPAC5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole
SMILESCOC(c1nsc(I)n1)C(C)C
InChIInChI=1S/C7H11IN2OS/c1-4(2)5(11-3)6-9-7(8)12-10-6/h4-5H,1-3H3
InChIKeyXVBLAMMPULQWAB-UHFFFAOYSA-N
MW298.15 g/mol
LogP2.49
Rot. Bonds3

About 5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole

5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole (PubChem CID 102618349) has the molecular formula C7H11IN2OS and a molecular weight of 298.15 g/mol. Its IUPAC name is 5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole
PubChem CID102618349
Molecular FormulaC7H11IN2OS
Molecular Weight298.15 g/mol
Exact Mass297.96
IUPAC Name5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole
SMILESCOC(c1nsc(I)n1)C(C)C
InChIInChI=1S/C7H11IN2OS/c1-4(2)5(11-3)6-9-7(8)12-10-6/h4-5H,1-3H3
InChIKeyXVBLAMMPULQWAB-UHFFFAOYSA-N
XLogP2.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-ethoxy-2-methylpropyl)-5-iodo-1,2,4-thiadiazole
CID 102618411
4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine
CID 116706694
5-iodo-2-(1-methoxy-2-methylpropyl)-N,6-dimethylpyrimidin-4-amine
CID 116729353
1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731306
4-iodo-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886110
N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 116729449
2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 116731574
5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 116729227
N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine
CID 116734357
3-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116732859
N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731735
2-(1-methoxy-2-methylpropyl)-N-methyl-6-phenylpyrimidin-4-amine
CID 116728724

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole (CID 102618349) is 5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole is COC(c1nsc(I)n1)C(C)C.
What is the InChIKey of 5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole?
The InChIKey is XVBLAMMPULQWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2OS/c1-4(2)5(11-3)6-9-7(8)12-10-6/h4-5H,1-3H3.
What are the key properties of 5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole?
5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole has a molecular weight of 298.15 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).