3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine

C10H17N3S — CID 105163170

IUPAC3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine
SMILESC=C(C)CC(N)c1snnc1CCC
InChIInChI=1S/C10H17N3S/c1-4-5-9-10(14-13-12-9)8(11)6-7(2)3/h8H,2,4-6,11H2,1,3H3
InChIKeyXHXYSJNKAAUFQS-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.46
Rot. Bonds5

About 3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine

3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine (PubChem CID 105163170) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine
PubChem CID105163170
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine
SMILESC=C(C)CC(N)c1snnc1CCC
InChIInChI=1S/C10H17N3S/c1-4-5-9-10(14-13-12-9)8(11)6-7(2)3/h8H,2,4-6,11H2,1,3H3
InChIKeyXHXYSJNKAAUFQS-UHFFFAOYSA-N
XLogP2.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
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 3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine?
The IUPAC name of 3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine (CID 105163170) is 3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine.
What is the SMILES notation for 3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine?
The canonical SMILES for 3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine is C=C(C)CC(N)c1snnc1CCC.
What is the InChIKey of 3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine?
The InChIKey is XHXYSJNKAAUFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-5-9-10(14-13-12-9)8(11)6-7(2)3/h8H,2,4-6,11H2,1,3H3.
What are the key properties of 3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine?
3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine is sourced from PubChem (CID 105163170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).