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

C7H12N2S — CID 59574691

IUPAC5-(2,2-dimethylpropyl)-1,2,4-thiadiazole
SMILESCC(C)(C)Cc1ncns1
InChIInChI=1S/C7H12N2S/c1-7(2,3)4-6-8-5-9-10-6/h5H,4H2,1-3H3
InChIKeySEAJWALLXUXWKJ-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.13
Rot. Bonds1

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

5-(2,2-dimethylpropyl)-1,2,4-thiadiazole (PubChem CID 59574691) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1,2,4-thiadiazole
PubChem CID59574691
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-(2,2-dimethylpropyl)-1,2,4-thiadiazole
SMILESCC(C)(C)Cc1ncns1
InChIInChI=1S/C7H12N2S/c1-7(2,3)4-6-8-5-9-10-6/h5H,4H2,1-3H3
InChIKeySEAJWALLXUXWKJ-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Propan-2-yl-1,2,4-thiadiazole
CID 20613646
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
5-Propyl-1,2,4-thiadiazole
CID 57105303
3-(2-Methylpropyl)-1,2,4-thiadiazole
CID 57116792
3-(2,2-Dimethylpropyl)-1,2,4-thiadiazole
CID 58062670
CID 58533541
CID 58533541
2,5-Ditert-butyl-1,2,4-thiadiazol-2-ium
CID 59654204
5-Pentyl-1,2,4-thiadiazole
CID 76541463
5-Butan-2-yl-1,2,4-thiadiazole
CID 89029706

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-1,2,4-thiadiazole (CID 59574691) is 5-(2,2-dimethylpropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1,2,4-thiadiazole is CC(C)(C)Cc1ncns1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1,2,4-thiadiazole?
The InChIKey is SEAJWALLXUXWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-7(2,3)4-6-8-5-9-10-6/h5H,4H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1,2,4-thiadiazole?
5-(2,2-dimethylpropyl)-1,2,4-thiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 59574691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).