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

C13H20N4OS — CID 104961298

IUPAC2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESC[C@@H]1CN(c2nc3sccn3c2CCN)C[C@H](C)O1
InChIInChI=1S/C13H20N4OS/c1-9-7-16(8-10(2)18-9)12-11(3-4-14)17-5-6-19-13(17)15-12/h5-6,9-10H,3-4,7-8,14H2,1-2H3/t9-,10+
InChIKeyDDDNEKUVTZUJJT-AOOOYVTPSA-N
MW280.40 g/mol
LogP1.51
Rot. Bonds3

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

2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 104961298) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID104961298
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESC[C@@H]1CN(c2nc3sccn3c2CCN)C[C@H](C)O1
InChIInChI=1S/C13H20N4OS/c1-9-7-16(8-10(2)18-9)12-11(3-4-14)17-5-6-19-13(17)15-12/h5-6,9-10H,3-4,7-8,14H2,1-2H3/t9-,10+
InChIKeyDDDNEKUVTZUJJT-AOOOYVTPSA-N
XLogP1.51
TPSA55.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 79183495
1-[6-(2,6-dimethylmorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476247
2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55236378
[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 66370348
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 30063187
2-[6-(1-oxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63786021
2-[6-(2,3-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63783425
2-[6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63783269
2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 79934693
1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperidin-4-ol
CID 114679350
4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methyl-1,4-oxazepane
CID 62972339
[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 66392728

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 104961298) is 2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is C[C@@H]1CN(c2nc3sccn3c2CCN)C[C@H](C)O1.
What is the InChIKey of 2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is DDDNEKUVTZUJJT-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9-7-16(8-10(2)18-9)12-11(3-4-14)17-5-6-19-13(17)15-12/h5-6,9-10H,3-4,7-8,14H2,1-2H3/t9-,10+.
What are the key properties of 2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 280.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 104961298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).