[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

C19H24N4O3S — CID 56868517

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2ccoc2)C[C@H](C)O1
InChIInChI=1S/C19H24N4O3S/c1-13-8-22(9-14(2)26-13)18(24)17-16(23-5-7-27-19(23)20-17)11-21(3)10-15-4-6-25-12-15/h4-7,12-14H,8-11H2,1-3H3/t13-,14+
InChIKeyJQWYGWMGECNGJF-OKILXGFUSA-N
MW388.49 g/mol
LogP2.87
Rot. Bonds5

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 56868517) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID56868517
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2ccoc2)C[C@H](C)O1
InChIInChI=1S/C19H24N4O3S/c1-13-8-22(9-14(2)26-13)18(24)17-16(23-5-7-27-19(23)20-17)11-21(3)10-15-4-6-25-12-15/h4-7,12-14H,8-11H2,1-3H3/t13-,14+
InChIKeyJQWYGWMGECNGJF-OKILXGFUSA-N
XLogP2.87
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 56868517) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is C[C@@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2ccoc2)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is JQWYGWMGECNGJF-OKILXGFUSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-8-22(9-14(2)26-13)18(24)17-16(23-5-7-27-19(23)20-17)11-21(3)10-15-4-6-25-12-15/h4-7,12-14H,8-11H2,1-3H3/t13-,14+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 388.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[furan-3-ylmethyl(methyl)amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 56868517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).