N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine

C18H24N4OS — CID 113223941

IUPACN'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine
SMILESCOc1nc2sccn2c1CNCCCN(C)Cc1ccccc1
InChIInChI=1S/C18H24N4OS/c1-21(14-15-7-4-3-5-8-15)10-6-9-19-13-16-17(23-2)20-18-22(16)11-12-24-18/h3-5,7-8,11-12,19H,6,9-10,13-14H2,1-2H3
InChIKeyGOKNWMVTMZDTEC-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.02
Rot. Bonds9

About N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine

N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 113223941) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID113223941
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine
SMILESCOc1nc2sccn2c1CNCCCN(C)Cc1ccccc1
InChIInChI=1S/C18H24N4OS/c1-21(14-15-7-4-3-5-8-15)10-6-9-19-13-16-17(23-2)20-18-22(16)11-12-24-18/h3-5,7-8,11-12,19H,6,9-10,13-14H2,1-2H3
InChIKeyGOKNWMVTMZDTEC-UHFFFAOYSA-N
XLogP3.02
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine (CID 113223941) is N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine is COc1nc2sccn2c1CNCCCN(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is GOKNWMVTMZDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-21(14-15-7-4-3-5-8-15)10-6-9-19-13-16-17(23-2)20-18-22(16)11-12-24-18/h3-5,7-8,11-12,19H,6,9-10,13-14H2,1-2H3.
What are the key properties of N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine?
N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 344.48 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 113223941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).