2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine

C13H18ClN3OS — CID 79339051

IUPAC2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1c(Cl)nc2sccn12)CNCCOC
InChIInChI=1S/C13H18ClN3OS/c1-3-10(9-15-4-6-18-2)8-11-12(14)16-13-17(11)5-7-19-13/h5,7-8,15H,3-4,6,9H2,1-2H3
InChIKeyADGAHVNCGCKCEX-UHFFFAOYSA-N
MW299.83 g/mol
LogP3.08
Rot. Bonds7

About 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine (PubChem CID 79339051) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
PubChem CID79339051
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1c(Cl)nc2sccn12)CNCCOC
InChIInChI=1S/C13H18ClN3OS/c1-3-10(9-15-4-6-18-2)8-11-12(14)16-13-17(11)5-7-19-13/h5,7-8,15H,3-4,6,9H2,1-2H3
InChIKeyADGAHVNCGCKCEX-UHFFFAOYSA-N
XLogP3.08
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 53.08
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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Related Compounds

N-(2-methoxyethyl)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79339937
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340771
N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79346775
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329020
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol
CID 79334066
6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole
CID 76912976
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal
CID 79330598
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-ol
CID 79334284
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-hydroxy-4-methoxybutyl)prop-2-enamide
CID 103877078
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
2-[[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]amino]acetic acid
CID 43354436
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 60630731

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine (CID 79339051) is 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine is CCC(=Cc1c(Cl)nc2sccn12)CNCCOC.
What is the InChIKey of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is ADGAHVNCGCKCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-3-10(9-15-4-6-18-2)8-11-12(14)16-13-17(11)5-7-19-13/h5,7-8,15H,3-4,6,9H2,1-2H3.
What are the key properties of 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 299.83 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 79339051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).