6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C12H15N3O2S — CID 30063187

IUPAC6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESC[C@@H]1CN(c2nc3sccn3c2C=O)C[C@H](C)O1
InChIInChI=1S/C12H15N3O2S/c1-8-5-14(6-9(2)17-8)11-10(7-16)15-3-4-18-12(15)13-11/h3-4,7-9H,5-6H2,1-2H3/t8-,9+
InChIKeyPQBKCTSYFKHBMP-DTORHVGOSA-N
MW265.34 g/mol
LogP1.82
Rot. Bonds2

About 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 30063187) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID30063187
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESC[C@@H]1CN(c2nc3sccn3c2C=O)C[C@H](C)O1
InChIInChI=1S/C12H15N3O2S/c1-8-5-14(6-9(2)17-8)11-10(7-16)15-3-4-18-12(15)13-11/h3-4,7-9H,5-6H2,1-2H3/t8-,9+
InChIKeyPQBKCTSYFKHBMP-DTORHVGOSA-N
XLogP1.82
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.82
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-morpholin-4-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780554
6-(2-methylazetidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 165460819
1-[6-(2,6-dimethylmorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476247
2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 104961298
6-(4-cyclopropylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61441904
6-(4-methyl-1,4-diazepan-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16779994
6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63973868
6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63158274
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-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82750522

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 30063187) is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is C[C@@H]1CN(c2nc3sccn3c2C=O)C[C@H](C)O1.
What is the InChIKey of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is PQBKCTSYFKHBMP-DTORHVGOSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-5-14(6-9(2)17-8)11-10(7-16)15-3-4-18-12(15)13-11/h3-4,7-9H,5-6H2,1-2H3/t8-,9+.
What are the key properties of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 265.34 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 30063187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).