2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine

C15H23N3S — CID 79329458

IUPAC2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1c(C)nc2sc(C)cn12)CNC(C)C
InChIInChI=1S/C15H23N3S/c1-6-13(8-16-10(2)3)7-14-12(5)17-15-18(14)9-11(4)19-15/h7,9-10,16H,6,8H2,1-5H3
InChIKeyYAMYBTWLLYKSPE-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.80
Rot. Bonds5

About 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine

2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine (PubChem CID 79329458) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine
PubChem CID79329458
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1c(C)nc2sc(C)cn12)CNC(C)C
InChIInChI=1S/C15H23N3S/c1-6-13(8-16-10(2)3)7-14-12(5)17-15-18(14)9-11(4)19-15/h7,9-10,16H,6,8H2,1-5H3
InChIKeyYAMYBTWLLYKSPE-UHFFFAOYSA-N
XLogP3.80
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine (CID 79329458) is 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine is CCC(=Cc1c(C)nc2sc(C)cn12)CNC(C)C.
What is the InChIKey of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine?
The InChIKey is YAMYBTWLLYKSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-6-13(8-16-10(2)3)7-14-12(5)17-15-18(14)9-11(4)19-15/h7,9-10,16H,6,8H2,1-5H3.
What are the key properties of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine?
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79329458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).