5-(2-methylpropyl)-1,2,4-thiadiazole

C6H10N2S — CID 131966151

IUPAC5-(2-methylpropyl)-1,2,4-thiadiazole
SMILESCC(C)Cc1ncns1
InChIInChI=1S/C6H10N2S/c1-5(2)3-6-7-4-8-9-6/h4-5H,3H2,1-2H3
InChIKeyIWFNCCFAHGPOBO-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.74
Rot. Bonds2

About 5-(2-methylpropyl)-1,2,4-thiadiazole

5-(2-methylpropyl)-1,2,4-thiadiazole (PubChem CID 131966151) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-1,2,4-thiadiazole
PubChem CID131966151
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name5-(2-methylpropyl)-1,2,4-thiadiazole
SMILESCC(C)Cc1ncns1
InChIInChI=1S/C6H10N2S/c1-5(2)3-6-7-4-8-9-6/h4-5H,3H2,1-2H3
InChIKeyIWFNCCFAHGPOBO-UHFFFAOYSA-N
XLogP1.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Methylpropyl)-1,2,4-thiadiazol-3-amine
CID 64543255
3-Propyl-1,2,4-thiadiazole
CID 17845902
3-Propan-2-yl-1,2,4-thiadiazole
CID 17845921
5-Propan-2-yl-1,2,4-thiadiazole
CID 20613646
5-Methyl-1,2,4-thiadiazole
CID 21258632
5-Tert-butyl-1,2,4-thiadiazole
CID 23383498
5-Ethyl-1,2,4-thiadiazole
CID 23552424
5-Cyclopropyl-1,2,4-thiadiazole
CID 54081873
1-(1,2,4-Thiadiazol-5-yl)propan-2-imine
CID 54474176
3-Pentan-3-yl-1,2,4-thiadiazole
CID 57084859
5-Propyl-1,2,4-thiadiazole
CID 57105303
3-(2-Methylpropyl)-1,2,4-thiadiazole
CID 57116792

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2-methylpropyl)-1,2,4-thiadiazole (CID 131966151) is 5-(2-methylpropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-methylpropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-methylpropyl)-1,2,4-thiadiazole is CC(C)Cc1ncns1.
What is the InChIKey of 5-(2-methylpropyl)-1,2,4-thiadiazole?
The InChIKey is IWFNCCFAHGPOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-5(2)3-6-7-4-8-9-6/h4-5H,3H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-1,2,4-thiadiazole?
5-(2-methylpropyl)-1,2,4-thiadiazole has a molecular weight of 142.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 131966151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).