1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine

C11H19N3S — CID 105153331

IUPAC1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine
SMILESC=CCCC(N)c1snnc1C(C)(C)C
InChIInChI=1S/C11H19N3S/c1-5-6-7-8(12)9-10(11(2,3)4)13-14-15-9/h5,8H,1,6-7,12H2,2-4H3
InChIKeyWUKVSTPGVXANFQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine

1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine (PubChem CID 105153331) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine
PubChem CID105153331
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine
SMILESC=CCCC(N)c1snnc1C(C)(C)C
InChIInChI=1S/C11H19N3S/c1-5-6-7-8(12)9-10(11(2,3)4)13-14-15-9/h5,8H,1,6-7,12H2,2-4H3
InChIKeyWUKVSTPGVXANFQ-UHFFFAOYSA-N
XLogP2.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.80
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)pentan-1-amine
CID 105125244
1-(4-tert-butylthiadiazol-5-yl)-2-cyclopropylethanamine
CID 105152767
1-(4-tert-butylthiadiazol-5-yl)hex-4-yn-1-amine
CID 105181379
1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine
CID 105289711
1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine
CID 105153160
1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine
CID 105135537
1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
CID 105190570
1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine
CID 105096256
1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol
CID 107894724
(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine
CID 171221408
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
CID 105117237
[1-(4-tert-butylthiadiazol-5-yl)-4-methylpentyl]hydrazine
CID 105294316

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine (CID 105153331) is 1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine is C=CCCC(N)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine?
The InChIKey is WUKVSTPGVXANFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-5-6-7-8(12)9-10(11(2,3)4)13-14-15-9/h5,8H,1,6-7,12H2,2-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine?
1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.80, 4 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)pent-4-en-1-amine is sourced from PubChem (CID 105153331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).