1-(1,2-thiazol-3-yl)but-3-en-1-amine

C7H10N2S — CID 130632089

IUPAC1-(1,2-thiazol-3-yl)but-3-en-1-amine
SMILESC=CCC(N)c1ccsn1
InChIInChI=1S/C7H10N2S/c1-2-3-6(8)7-4-5-10-9-7/h2,4-6H,1,3,8H2
InChIKeyNSNDMIXEODMAPU-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.72
Rot. Bonds3

About 1-(1,2-thiazol-3-yl)but-3-en-1-amine

1-(1,2-thiazol-3-yl)but-3-en-1-amine (PubChem CID 130632089) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 1-(1,2-thiazol-3-yl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(1,2-thiazol-3-yl)but-3-en-1-amine
PubChem CID130632089
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name1-(1,2-thiazol-3-yl)but-3-en-1-amine
SMILESC=CCC(N)c1ccsn1
InChIInChI=1S/C7H10N2S/c1-2-3-6(8)7-4-5-10-9-7/h2,4-6H,1,3,8H2
InChIKeyNSNDMIXEODMAPU-UHFFFAOYSA-N
XLogP1.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(1,2-thiazol-3-yl)but-3-en-1-amine?
The IUPAC name of 1-(1,2-thiazol-3-yl)but-3-en-1-amine (CID 130632089) is 1-(1,2-thiazol-3-yl)but-3-en-1-amine.
What is the SMILES notation for 1-(1,2-thiazol-3-yl)but-3-en-1-amine?
The canonical SMILES for 1-(1,2-thiazol-3-yl)but-3-en-1-amine is C=CCC(N)c1ccsn1.
What is the InChIKey of 1-(1,2-thiazol-3-yl)but-3-en-1-amine?
The InChIKey is NSNDMIXEODMAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-3-6(8)7-4-5-10-9-7/h2,4-6H,1,3,8H2.
What are the key properties of 1-(1,2-thiazol-3-yl)but-3-en-1-amine?
1-(1,2-thiazol-3-yl)but-3-en-1-amine has a molecular weight of 154.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-3-yl)but-3-en-1-amine is sourced from PubChem (CID 130632089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).