6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C13H17N3O2S — CID 63973868

IUPAC6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOCC1CCN(c2nc3sccn3c2C=O)CC1
InChIInChI=1S/C13H17N3O2S/c1-18-9-10-2-4-15(5-3-10)12-11(8-17)16-6-7-19-13(16)14-12/h6-8,10H,2-5,9H2,1H3
InChIKeyRWZKQUUFUWZKBU-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.07
Rot. Bonds4

About 6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 63973868) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID63973868
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOCC1CCN(c2nc3sccn3c2C=O)CC1
InChIInChI=1S/C13H17N3O2S/c1-18-9-10-2-4-15(5-3-10)12-11(8-17)16-6-7-19-13(16)14-12/h6-8,10H,2-5,9H2,1H3
InChIKeyRWZKQUUFUWZKBU-UHFFFAOYSA-N
XLogP2.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61441904
6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 165460819
6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780554
5-(bromomethyl)-6-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3]thiazole
CID 107084069
6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16779994
6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63158274
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 30063187
6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 62133577
(E)-3-[6-(4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 16780343
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82750522
[6-(4-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61421693
N-[[1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-yl]methyl]ethanamine
CID 80546147

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 63973868) is 6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COCC1CCN(c2nc3sccn3c2C=O)CC1.
What is the InChIKey of 6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is RWZKQUUFUWZKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-18-9-10-2-4-15(5-3-10)12-11(8-17)16-6-7-19-13(16)14-12/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 279.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 63973868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).