1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine

C11H19N3S — CID 79842978

IUPAC1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine
SMILESNC1(CCNCCc2cscn2)CCC1
InChIInChI=1S/C11H19N3S/c12-11(3-1-4-11)5-7-13-6-2-10-8-15-9-14-10/h8-9,13H,1-7,12H2
InChIKeySZNMARHJMMJSRR-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.55
Rot. Bonds6

About 1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine

1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine (PubChem CID 79842978) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine
PubChem CID79842978
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine
SMILESNC1(CCNCCc2cscn2)CCC1
InChIInChI=1S/C11H19N3S/c12-11(3-1-4-11)5-7-13-6-2-10-8-15-9-14-10/h8-9,13H,1-7,12H2
InChIKeySZNMARHJMMJSRR-UHFFFAOYSA-N
XLogP1.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine (CID 79842978) is 1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine is NC1(CCNCCc2cscn2)CCC1.
What is the InChIKey of 1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine?
The InChIKey is SZNMARHJMMJSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c12-11(3-1-4-11)5-7-13-6-2-10-8-15-9-14-10/h8-9,13H,1-7,12H2.
What are the key properties of 1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine?
1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79842978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).