2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole

C11H20N2S — CID 118900466

IUPAC2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole
SMILESCCC(C)(C)c1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H20N2S/c1-7-11(5,6)9-13-12-8(14-9)10(2,3)4/h7H2,1-6H3
InChIKeyGKRFNEAVTCYIPK-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.52
Rot. Bonds2

About 2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole

2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole (PubChem CID 118900466) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole
PubChem CID118900466
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole
SMILESCCC(C)(C)c1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H20N2S/c1-7-11(5,6)9-13-12-8(14-9)10(2,3)4/h7H2,1-6H3
InChIKeyGKRFNEAVTCYIPK-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole (CID 118900466) is 2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole is CCC(C)(C)c1nnc(C(C)(C)C)s1.
What is the InChIKey of 2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole?
The InChIKey is GKRFNEAVTCYIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-7-11(5,6)9-13-12-8(14-9)10(2,3)4/h7H2,1-6H3.
What are the key properties of 2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole?
2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole has a molecular weight of 212.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 118900466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).