N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine

C15H17N3OS — CID 43761861

IUPACN-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
SMILESCOc1nc2sccn2c1CNCCc1ccccc1
InChIInChI=1S/C15H17N3OS/c1-19-14-13(18-9-10-20-15(18)17-14)11-16-8-7-12-5-3-2-4-6-12/h2-6,9-10,16H,7-8,11H2,1H3
InChIKeyKRJZHCUCBLDTST-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.74
Rot. Bonds6

About N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine

N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine (PubChem CID 43761861) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
PubChem CID43761861
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
SMILESCOc1nc2sccn2c1CNCCc1ccccc1
InChIInChI=1S/C15H17N3OS/c1-19-14-13(18-9-10-20-15(18)17-14)11-16-8-7-12-5-3-2-4-6-12/h2-6,9-10,16H,7-8,11H2,1H3
InChIKeyKRJZHCUCBLDTST-UHFFFAOYSA-N
XLogP2.74
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine
CID 113223941
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43769566
1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 64681770
3,3,3-trifluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63226560
2-[2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethoxy]ethanol
CID 43771454
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 43764195
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63826771
3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43773804
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 43769500
1-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767778
N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine
CID 43479817

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine (CID 43761861) is N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine is COc1nc2sccn2c1CNCCc1ccccc1.
What is the InChIKey of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine?
The InChIKey is KRJZHCUCBLDTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-19-14-13(18-9-10-20-15(18)17-14)11-16-8-7-12-5-3-2-4-6-12/h2-6,9-10,16H,7-8,11H2,1H3.
What are the key properties of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine?
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine has a molecular weight of 287.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 43761861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).