2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

C13H15N3OS — CID 43776452

IUPAC2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1nc2sccn2c1CNCCc1ccco1
InChIInChI=1S/C13H15N3OS/c1-10-12(16-6-8-18-13(16)15-10)9-14-5-4-11-3-2-7-17-11/h2-3,6-8,14H,4-5,9H2,1H3
InChIKeyJQEUDKPRELUOMF-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.63
Rot. Bonds5

About 2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 43776452) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID43776452
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1nc2sccn2c1CNCCc1ccco1
InChIInChI=1S/C13H15N3OS/c1-10-12(16-6-8-18-13(16)15-10)9-14-5-4-11-3-2-7-17-11/h2-3,6-8,14H,4-5,9H2,1H3
InChIKeyJQEUDKPRELUOMF-UHFFFAOYSA-N
XLogP2.63
TPSA42.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 43776452) is 2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is Cc1nc2sccn2c1CNCCc1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is JQEUDKPRELUOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10-12(16-6-8-18-13(16)15-10)9-14-5-4-11-3-2-7-17-11/h2-3,6-8,14H,4-5,9H2,1H3.
What are the key properties of 2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine has a molecular weight of 261.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 43776452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).