N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine

C15H24N4OS — CID 115332080

IUPACN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C15H24N4OS/c1-20-8-5-16-10-14-4-2-3-6-18(14)11-13-12-19-7-9-21-15(19)17-13/h7,9,12,14,16H,2-6,8,10-11H2,1H3
InChIKeyUTDWVEDBAXEITE-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.99
Rot. Bonds7

About N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine

N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine (PubChem CID 115332080) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
PubChem CID115332080
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C15H24N4OS/c1-20-8-5-16-10-14-4-2-3-6-18(14)11-13-12-19-7-9-21-15(19)17-13/h7,9,12,14,16H,2-6,8,10-11H2,1H3
InChIKeyUTDWVEDBAXEITE-UHFFFAOYSA-N
XLogP1.99
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.99
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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Related Compounds

N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 115332088
6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 113289352
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818
2-methoxy-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 63853569
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 115331583
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 115334657
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62581300
2-methoxy-N-[[1-(methoxymethyl)piperidin-2-yl]methyl]ethanamine
CID 65364306
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112683612
N-[[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62580803
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
CID 115331828
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 104798186

Frequently Asked Questions

What is the IUPAC name of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine (CID 115332080) is N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine is COCCNCC1CCCCN1Cc1cn2ccsc2n1.
What is the InChIKey of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is UTDWVEDBAXEITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-20-8-5-16-10-14-4-2-3-6-18(14)11-13-12-19-7-9-21-15(19)17-13/h7,9,12,14,16H,2-6,8,10-11H2,1H3.
What are the key properties of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine?
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 308.45 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 115332080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).