4-(3-methylbutan-2-yl)thiadiazole

C7H12N2S — CID 148804206

IUPAC4-(3-methylbutan-2-yl)thiadiazole
SMILESCC(C)C(C)c1csnn1
InChIInChI=1S/C7H12N2S/c1-5(2)6(3)7-4-10-9-8-7/h4-6H,1-3H3
InChIKeyOOQAQZIRWZRGIU-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.30
Rot. Bonds2

About 4-(3-methylbutan-2-yl)thiadiazole

4-(3-methylbutan-2-yl)thiadiazole (PubChem CID 148804206) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-(3-methylbutan-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(3-methylbutan-2-yl)thiadiazole
PubChem CID148804206
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name4-(3-methylbutan-2-yl)thiadiazole
SMILESCC(C)C(C)c1csnn1
InChIInChI=1S/C7H12N2S/c1-5(2)6(3)7-4-10-9-8-7/h4-6H,1-3H3
InChIKeyOOQAQZIRWZRGIU-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Propylthiadiazole
CID 12679018
4-Isopropyl-[1,2,3]thiadiazole
CID 12522270
Thiadiazolylcyclopropane
CID 57002534
Isobutylthiadiazole
CID 118148363
4-(6-Ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole
CID 163644819
4-Butylthiadiazole
CID 19903308
4-Cyclobutylthiadiazole
CID 146168347
3-Fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine
CID 130589388
4-Cyclohexylthiadiazole
CID 18979673
4-Pentylthiadiazole
CID 53984366
4-But-3-enylthiadiazole
CID 54540167
1-(Thiadiazol-4-yl)propane-1-thiol
CID 57280063

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-yl)thiadiazole?
The IUPAC name of 4-(3-methylbutan-2-yl)thiadiazole (CID 148804206) is 4-(3-methylbutan-2-yl)thiadiazole.
What is the SMILES notation for 4-(3-methylbutan-2-yl)thiadiazole?
The canonical SMILES for 4-(3-methylbutan-2-yl)thiadiazole is CC(C)C(C)c1csnn1.
What is the InChIKey of 4-(3-methylbutan-2-yl)thiadiazole?
The InChIKey is OOQAQZIRWZRGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5(2)6(3)7-4-10-9-8-7/h4-6H,1-3H3.
What are the key properties of 4-(3-methylbutan-2-yl)thiadiazole?
4-(3-methylbutan-2-yl)thiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-yl)thiadiazole is sourced from PubChem (CID 148804206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).