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

C11H14ClN3OS — CID 79340771

IUPAC3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1c(Cl)nc2sccn12
InChIInChI=1S/C11H14ClN3OS/c1-16-7-5-13-4-2-3-9-10(12)14-11-15(9)6-8-17-11/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyUPUOAZNRMYYQHI-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.30
Rot. Bonds6

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

3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine (PubChem CID 79340771) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
PubChem CID79340771
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1c(Cl)nc2sccn12
InChIInChI=1S/C11H14ClN3OS/c1-16-7-5-13-4-2-3-9-10(12)14-11-15(9)6-8-17-11/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyUPUOAZNRMYYQHI-UHFFFAOYSA-N
XLogP2.30
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.30
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

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79339051
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-hydroxy-4-methoxybutyl)prop-2-enamide
CID 103877078
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 60630731
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(E)-pent-3-enyl]prop-2-enamide
CID 115628070
N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79346775
N-(2-methoxyethyl)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79339937
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-(2-methylpropoxy)prop-2-enamide
CID 115409962
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 8856869
3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340039
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-ethylphenyl)prop-2-enamide
CID 37345011

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The IUPAC name of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine (CID 79340771) is 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The canonical SMILES for 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine is COCCNCC=Cc1c(Cl)nc2sccn12.
What is the InChIKey of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The InChIKey is UPUOAZNRMYYQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c1-16-7-5-13-4-2-3-9-10(12)14-11-15(9)6-8-17-11/h2-3,6,8,13H,4-5,7H2,1H3.
What are the key properties of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine?
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine has a molecular weight of 271.77 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 79340771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).