3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole

C7H10N2S — CID 135170732

IUPAC3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole
SMILESCc1nsc(C2(C)CC2)n1
InChIInChI=1S/C7H10N2S/c1-5-8-6(10-9-5)7(2)3-4-7/h3-4H2,1-2H3
InChIKeyAESTXRWLINBUTJ-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.90
Rot. Bonds1

About 3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole

3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole (PubChem CID 135170732) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole
PubChem CID135170732
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole
SMILESCc1nsc(C2(C)CC2)n1
InChIInChI=1S/C7H10N2S/c1-5-8-6(10-9-5)7(2)3-4-7/h3-4H2,1-2H3
InChIKeyAESTXRWLINBUTJ-UHFFFAOYSA-N
XLogP1.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Ditert-butyl-1,2,4-thiadiazole
CID 12846881
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
5-Tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 58432432
3-Cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 91155524
3-(1-Fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole
CID 135170509
5-(2-Fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole
CID 131198196
5-(2-Methylpropyl)-1,2,4-thiadiazol-3-amine
CID 64543255
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
3-Ethyl-5-methyl-1,2,4-thiadiazole
CID 22947825
5-Ethyl-3-methyl-1,2,4-thiadiazole
CID 23528320

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole (CID 135170732) is 3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole is Cc1nsc(C2(C)CC2)n1.
What is the InChIKey of 3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole?
The InChIKey is AESTXRWLINBUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-5-8-6(10-9-5)7(2)3-4-7/h3-4H2,1-2H3.
What are the key properties of 3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole?
3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole has a molecular weight of 154.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylcyclopropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 135170732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).