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

C7H11IN2OS — CID 102943536

IUPAC3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole
SMILESCOCC(C)Cc1nc(I)ns1
InChIInChI=1S/C7H11IN2OS/c1-5(4-11-2)3-6-9-7(8)10-12-6/h5H,3-4H2,1-2H3
InChIKeyMOYZTWGHZPNNGH-UHFFFAOYSA-N
MW298.15 g/mol
LogP1.97
Rot. Bonds4

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

3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole (PubChem CID 102943536) has the molecular formula C7H11IN2OS and a molecular weight of 298.15 g/mol. Its IUPAC name is 3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole
PubChem CID102943536
Molecular FormulaC7H11IN2OS
Molecular Weight298.15 g/mol
Exact Mass297.96
IUPAC Name3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole
SMILESCOCC(C)Cc1nc(I)ns1
InChIInChI=1S/C7H11IN2OS/c1-5(4-11-2)3-6-9-7(8)10-12-6/h5H,3-4H2,1-2H3
InChIKeyMOYZTWGHZPNNGH-UHFFFAOYSA-N
XLogP1.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 51.97
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

5-Butan-2-yl-3-iodo-1,2,4-thiadiazole
CID 121601629
3-Methoxy-5-propan-2-yl-1,2,4-thiadiazole
CID 134442994
3-(Oxolan-3-yl)-5-propan-2-yl-1,2,4-thiadiazole
CID 155227232
5-Methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole
CID 155742643
5-(Oxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 64536795
5-(3-Methoxypropyl)-1,2,4-thiadiazol-3-amine
CID 80356026
5-(3-Ethoxypropyl)-1,2,4-thiadiazol-3-amine
CID 80356027
5-(3-Methoxy-2-methylpropyl)-1,2,4-thiadiazol-3-amine
CID 80356120
5-Iodo-3-(3-methoxypropyl)-1,2,4-thiadiazole
CID 102618607
3-Bromo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 102943206
3-Bromo-5-(3-ethoxypropyl)-1,2,4-thiadiazole
CID 102943363
3-Bromo-5-(3-methoxypropyl)-1,2,4-thiadiazole
CID 102943446

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole?
The IUPAC name of 3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole (CID 102943536) is 3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole is COCC(C)Cc1nc(I)ns1.
What is the InChIKey of 3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole?
The InChIKey is MOYZTWGHZPNNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2OS/c1-5(4-11-2)3-6-9-7(8)10-12-6/h5H,3-4H2,1-2H3.
What are the key properties of 3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole?
3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole has a molecular weight of 298.15 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(3-methoxy-2-methylpropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).