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

C16H27N3S — CID 43625805

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCc1c(C)nc2sc(C)cn12
InChIInChI=1S/C16H27N3S/c1-5-7-8-14(6-2)9-17-10-15-13(4)18-16-19(15)11-12(3)20-16/h11,14,17H,5-10H2,1-4H3
InChIKeyZVWBHRFNOMHREV-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.32
Rot. Bonds8

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

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethylhexan-1-amine (PubChem CID 43625805) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethylhexan-1-amine
PubChem CID43625805
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCc1c(C)nc2sc(C)cn12
InChIInChI=1S/C16H27N3S/c1-5-7-8-14(6-2)9-17-10-15-13(4)18-16-19(15)11-12(3)20-16/h11,14,17H,5-10H2,1-4H3
InChIKeyZVWBHRFNOMHREV-UHFFFAOYSA-N
XLogP4.32
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-2-ethylhexan-1-amine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethylhexan-1-amine (CID 43625805) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethylhexan-1-amine is CCCCC(CC)CNCc1c(C)nc2sc(C)cn12.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethylhexan-1-amine?
The InChIKey is ZVWBHRFNOMHREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-5-7-8-14(6-2)9-17-10-15-13(4)18-16-19(15)11-12(3)20-16/h11,14,17H,5-10H2,1-4H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethylhexan-1-amine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethylhexan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 4.32, 8 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]-2-ethylhexan-1-amine is sourced from PubChem (CID 43625805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).