N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine

C15H25N3S — CID 43625914

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1c(C)nc2sc(C)cn12
InChIInChI=1S/C15H25N3S/c1-5-6-7-8-11(2)16-9-14-13(4)17-15-18(14)10-12(3)19-15/h10-11,16H,5-9H2,1-4H3
InChIKeyHDTOAIMMDTVAIZ-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.07
Rot. Bonds7

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine (PubChem CID 43625914) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine
PubChem CID43625914
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1c(C)nc2sc(C)cn12
InChIInChI=1S/C15H25N3S/c1-5-6-7-8-11(2)16-9-14-13(4)17-15-18(14)10-12(3)19-15/h10-11,16H,5-9H2,1-4H3
InChIKeyHDTOAIMMDTVAIZ-UHFFFAOYSA-N
XLogP4.07
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine (CID 43625914) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine is CCCCCC(C)NCc1c(C)nc2sc(C)cn12.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine?
The InChIKey is HDTOAIMMDTVAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-5-6-7-8-11(2)16-9-14-13(4)17-15-18(14)10-12(3)19-15/h10-11,16H,5-9H2,1-4H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine has a molecular weight of 279.45 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]heptan-2-amine is sourced from PubChem (CID 43625914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).