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

C15H24N4OS — CID 115332088

IUPACN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C15H24N4OS/c1-20-7-4-16-9-13-3-2-5-18(10-13)11-14-12-19-6-8-21-15(19)17-14/h6,8,12-13,16H,2-5,7,9-11H2,1H3
InChIKeyLSQQVBXSDCBFTR-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.84
Rot. Bonds7

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

N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine (PubChem CID 115332088) 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-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
PubChem CID115332088
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C15H24N4OS/c1-20-7-4-16-9-13-3-2-5-18(10-13)11-14-12-19-6-8-21-15(19)17-14/h6,8,12-13,16H,2-5,7,9-11H2,1H3
InChIKeyLSQQVBXSDCBFTR-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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]cyclopropanamine
CID 115332085
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 115332080
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
CID 113288904
2-methoxy-N-[[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 63987091
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 115332094
6-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 95311215
N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62592731
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112683612
N-[[1-[(4-bromophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591485
N-[[1-[(4-iodophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65479448
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 115331583
2-methoxy-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 55259133

Frequently Asked Questions

What is the IUPAC name of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine (CID 115332088) is N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine is COCCNCC1CCCN(Cc2cn3ccsc3n2)C1.
What is the InChIKey of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is LSQQVBXSDCBFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-20-7-4-16-9-13-3-2-5-18(10-13)11-14-12-19-6-8-21-15(19)17-14/h6,8,12-13,16H,2-5,7,9-11H2,1H3.
What are the key properties of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 308.45 g/mol, XLogP of 1.84, 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-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 115332088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).