3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole

C7H11IN2S — CID 102943687

IUPAC3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole
SMILESCC(C)C(C)c1nc(I)ns1
InChIInChI=1S/C7H11IN2S/c1-4(2)5(3)6-9-7(8)10-11-6/h4-5H,1-3H3
InChIKeyUCKLMVXGINKEKV-UHFFFAOYSA-N
MW282.15 g/mol
LogP2.90
Rot. Bonds2

About 3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole

3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole (PubChem CID 102943687) has the molecular formula C7H11IN2S and a molecular weight of 282.15 g/mol. Its IUPAC name is 3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole
PubChem CID102943687
Molecular FormulaC7H11IN2S
Molecular Weight282.15 g/mol
Exact Mass281.97
IUPAC Name3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole
SMILESCC(C)C(C)c1nc(I)ns1
InChIInChI=1S/C7H11IN2S/c1-4(2)5(3)6-9-7(8)10-11-6/h4-5H,1-3H3
InChIKeyUCKLMVXGINKEKV-UHFFFAOYSA-N
XLogP2.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Propan-2-yl)-1,2,4-thiadiazol-3-amine
CID 12246467
5-(2-Fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole
CID 131198196
5-(2-Methylpropyl)-1,2,4-thiadiazol-3-amine
CID 64543255
5-Propyl-1,2,4-thiadiazol-3-amine
CID 12246464
3-Methyl-5-propan-2-yl-1,2,4-thiadiazole
CID 20605582
5-Propan-2-yl-3-propyl-1,2,4-thiadiazole
CID 20605584
3,5-Di(propan-2-yl)-1,2,4-thiadiazole
CID 21054923
5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 58051735
3-(3,3-Dimethylbutan-2-yl)-5-methyl-1,2,4-thiadiazole
CID 58403055
5-Methyl-3-propan-2-yl-1,2,4-thiadiazole
CID 59049207
3-Ethyl-5-propan-2-yl-1,2,4-thiadiazole
CID 59718750
N,N-dimethyl-5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine
CID 59871598

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole (CID 102943687) is 3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole is CC(C)C(C)c1nc(I)ns1.
What is the InChIKey of 3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole?
The InChIKey is UCKLMVXGINKEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2S/c1-4(2)5(3)6-9-7(8)10-11-6/h4-5H,1-3H3.
What are the key properties of 3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole?
3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole has a molecular weight of 282.15 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(3-methylbutan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).