4-(2-methylbutan-2-yl)thiadiazole

C7H12N2S — CID 142062916

IUPAC4-(2-methylbutan-2-yl)thiadiazole
SMILESCCC(C)(C)c1csnn1
InChIInChI=1S/C7H12N2S/c1-4-7(2,3)6-5-10-9-8-6/h5H,4H2,1-3H3
InChIKeyBCNWSXFWZCZXSQ-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.23
Rot. Bonds2

About 4-(2-methylbutan-2-yl)thiadiazole

4-(2-methylbutan-2-yl)thiadiazole (PubChem CID 142062916) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)thiadiazole
PubChem CID142062916
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name4-(2-methylbutan-2-yl)thiadiazole
SMILESCCC(C)(C)c1csnn1
InChIInChI=1S/C7H12N2S/c1-4-7(2,3)6-5-10-9-8-6/h5H,4H2,1-3H3
InChIKeyBCNWSXFWZCZXSQ-UHFFFAOYSA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-t-Butyl-1,2,3-thiadiazole
CID 2748877
4-Propylthiadiazole
CID 12679018
4-Isopropyl-[1,2,3]thiadiazole
CID 12522270
Thiadiazolylcyclopropane
CID 57002534
Isobutylthiadiazole
CID 118148363
4-Butylthiadiazole
CID 19903308
4-Cyclobutylthiadiazole
CID 146168347
4-(2-Methylundecan-2-yl)thiadiazole
CID 53858843
4-Pentylthiadiazole
CID 53984366
4-But-3-enylthiadiazole
CID 54540167
1-(Thiadiazol-4-yl)propane-1-thiol
CID 57280063
4-(2,2-Dimethylpropyl)thiadiazole
CID 58612134

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)thiadiazole?
The IUPAC name of 4-(2-methylbutan-2-yl)thiadiazole (CID 142062916) is 4-(2-methylbutan-2-yl)thiadiazole.
What is the SMILES notation for 4-(2-methylbutan-2-yl)thiadiazole?
The canonical SMILES for 4-(2-methylbutan-2-yl)thiadiazole is CCC(C)(C)c1csnn1.
What is the InChIKey of 4-(2-methylbutan-2-yl)thiadiazole?
The InChIKey is BCNWSXFWZCZXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-4-7(2,3)6-5-10-9-8-6/h5H,4H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)thiadiazole?
4-(2-methylbutan-2-yl)thiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)thiadiazole is sourced from PubChem (CID 142062916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).