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

C18H28N4O3S — CID 45173477

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCCOCCCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12
InChIInChI=1S/C18H28N4O3S/c1-4-24-8-5-6-19-10-15-16(20-18-22(15)7-9-26-18)17(23)21-11-13(2)25-14(3)12-21/h7,9,13-14,19H,4-6,8,10-12H2,1-3H3/t13-,14+
InChIKeyZYYMNYCUDIFDGS-OKILXGFUSA-N
MW380.51 g/mol
LogP2.16
Rot. Bonds8

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

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 45173477) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID45173477
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCCOCCCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12
InChIInChI=1S/C18H28N4O3S/c1-4-24-8-5-6-19-10-15-16(20-18-22(15)7-9-26-18)17(23)21-11-13(2)25-14(3)12-21/h7,9,13-14,19H,4-6,8,10-12H2,1-3H3/t13-,14+
InChIKeyZYYMNYCUDIFDGS-OKILXGFUSA-N
XLogP2.16
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 45173477) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)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-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is CCOCCCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is ZYYMNYCUDIFDGS-OKILXGFUSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-4-24-8-5-6-19-10-15-16(20-18-22(15)7-9-26-18)17(23)21-11-13(2)25-14(3)12-21/h7,9,13-14,19H,4-6,8,10-12H2,1-3H3/t13-,14+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 380.51 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 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-[(3-ethoxypropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 45173477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).