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

C10H11N3OS — CID 165460819

IUPAC6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC1CCN1c1nc2sccn2c1C=O
InChIInChI=1S/C10H11N3OS/c1-7-2-3-12(7)9-8(6-14)13-4-5-15-10(13)11-9/h4-7H,2-3H2,1H3
InChIKeyLGELOUVIUHWLQZ-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.81
Rot. Bonds2

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

6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 165460819) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID165460819
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCC1CCN1c1nc2sccn2c1C=O
InChIInChI=1S/C10H11N3OS/c1-7-2-3-12(7)9-8(6-14)13-4-5-15-10(13)11-9/h4-7H,2-3H2,1H3
InChIKeyLGELOUVIUHWLQZ-UHFFFAOYSA-N
XLogP1.81
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63973868
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 30063187
6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61441904
6-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780554
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
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3-[6-(2,3-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 76936234
6-(3-phenylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 62133577
6-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 79096104
6-[methyl-(2-methylcyclohexyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55005275
6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43475639

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 165460819) is 6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CC1CCN1c1nc2sccn2c1C=O.
What is the InChIKey of 6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is LGELOUVIUHWLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-2-3-12(7)9-8(6-14)13-4-5-15-10(13)11-9/h4-7H,2-3H2,1H3.
What are the key properties of 6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 221.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 165460819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).