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

C15H23N3OS — CID 79346775

IUPACN-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
SMILESCOCCNCC(=Cc1c(C)nc2sccn12)C(C)C
InChIInChI=1S/C15H23N3OS/c1-11(2)13(10-16-5-7-19-4)9-14-12(3)17-15-18(14)6-8-20-15/h6,8-9,11,16H,5,7,10H2,1-4H3
InChIKeyQKETWRGVJAFNJO-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.98
Rot. Bonds7

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

N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine (PubChem CID 79346775) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
PubChem CID79346775
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
SMILESCOCCNCC(=Cc1c(C)nc2sccn12)C(C)C
InChIInChI=1S/C15H23N3OS/c1-11(2)13(10-16-5-7-19-4)9-14-12(3)17-15-18(14)6-8-20-15/h6,8-9,11,16H,5,7,10H2,1-4H3
InChIKeyQKETWRGVJAFNJO-UHFFFAOYSA-N
XLogP2.98
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.98
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-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339746
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79339901
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79324353
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79339051
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329020
N,2-dimethyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine
CID 79340574
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal
CID 79331317
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340771
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-ol
CID 79334284
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol
CID 79334066
2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79595252

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine (CID 79346775) is N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine is COCCNCC(=Cc1c(C)nc2sccn12)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine?
The InChIKey is QKETWRGVJAFNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11(2)13(10-16-5-7-19-4)9-14-12(3)17-15-18(14)6-8-20-15/h6,8-9,11,16H,5,7,10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine?
N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79346775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).