N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine

C12H20N4OS — CID 126823822

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine
SMILESCON(C)CCNCc1c(C)nc2sc(C)cn12
InChIInChI=1S/C12H20N4OS/c1-9-8-16-11(10(2)14-12(16)18-9)7-13-5-6-15(3)17-4/h8,13H,5-7H2,1-4H3
InChIKeyLBDKGXBYJXFJHO-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.60
Rot. Bonds6

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine (PubChem CID 126823822) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine
PubChem CID126823822
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine
SMILESCON(C)CCNCc1c(C)nc2sc(C)cn12
InChIInChI=1S/C12H20N4OS/c1-9-8-16-11(10(2)14-12(16)18-9)7-13-5-6-15(3)17-4/h8,13H,5-7H2,1-4H3
InChIKeyLBDKGXBYJXFJHO-UHFFFAOYSA-N
XLogP1.60
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)acetamide
CID 3502401
1-Methyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 145989762
Methyl((6-methylimidazo(2,1-b)(1,3)thiazol-5-yl)methyl)amine dihydrochloride
CID 50988377
{2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl}methanamine dihydrochloride
CID 119056961
(2S)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 124506271
(2S)-2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hex-4-yn-1-ol
CID 164638236
(2-Methylimidazo[2,1-b][1,3]thiazol-6-yl)methanamine;dihydrochloride
CID 129009073
N-[(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 129450888
N-(imidazo-[2,1-b]thiazol-5-ylmethyl)acetamide
CID 154926110
(2,6-Dimethylimidazo[2,1-b]thiazol-5-yl)methanamine
CID 39197006
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 43625682
Methyl({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)amine
CID 43754873

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine (CID 126823822) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine is CON(C)CCNCc1c(C)nc2sc(C)cn12.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine?
The InChIKey is LBDKGXBYJXFJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9-8-16-11(10(2)14-12(16)18-9)7-13-5-6-15(3)17-4/h8,13H,5-7H2,1-4H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methoxy-N'-methylethane-1,2-diamine has a molecular weight of 268.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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]-N'-methoxy-N'-methylethane-1,2-diamine is sourced from PubChem (CID 126823822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).