5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine

C11H19N3S — CID 133439062

IUPAC5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CN(C)c1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H19N3S/c1-8(2)7-14(6)10-13-12-9(15-10)11(3,4)5/h1,7H2,2-6H3
InChIKeyULYRZASIPIMBPO-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.85
Rot. Bonds3

About 5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine

5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133439062) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
PubChem CID133439062
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CN(C)c1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H19N3S/c1-8(2)7-14(6)10-13-12-9(15-10)11(3,4)5/h1,7H2,2-6H3
InChIKeyULYRZASIPIMBPO-UHFFFAOYSA-N
XLogP2.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine (CID 133439062) is 5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine is C=C(C)CN(C)c1nnc(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ULYRZASIPIMBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(2)7-14(6)10-13-12-9(15-10)11(3,4)5/h1,7H2,2-6H3.
What are the key properties of 5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133439062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).