1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine

C11H19N3S — CID 105163765

IUPAC1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1snnc1C(C)(C)C
InChIInChI=1S/C11H19N3S/c1-7(2)8(12-6)9-10(11(3,4)5)13-14-15-9/h8,12H,1H2,2-6H3
InChIKeySZFLJECWUDPFRZ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine

1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 105163765) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine
PubChem CID105163765
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1snnc1C(C)(C)C
InChIInChI=1S/C11H19N3S/c1-7(2)8(12-6)9-10(11(3,4)5)13-14-15-9/h8,12H,1H2,2-6H3
InChIKeySZFLJECWUDPFRZ-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 105078291
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656
1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol
CID 105116559
1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol
CID 107894724
1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol
CID 105122577
1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol
CID 105112166
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103134552
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105173976
1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine
CID 105289711
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 105148734
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 105113420

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine (CID 105163765) is 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is SZFLJECWUDPFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-7(2)8(12-6)9-10(11(3,4)5)13-14-15-9/h8,12H,1H2,2-6H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine?
1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 105163765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).