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

C19H25N5O3S — CID 26393357

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCc1cc(CN(C)Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)on1
InChIInChI=1S/C19H25N5O3S/c1-12-7-15(27-21-12)10-22(4)11-16-17(20-19-24(16)5-6-28-19)18(25)23-8-13(2)26-14(3)9-23/h5-7,13-14H,8-11H2,1-4H3/t13-,14+
InChIKeyCCMVODSTSYABRX-OKILXGFUSA-N
MW403.51 g/mol
LogP2.57
Rot. Bonds5

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

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 26393357) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)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-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID26393357
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCc1cc(CN(C)Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)on1
InChIInChI=1S/C19H25N5O3S/c1-12-7-15(27-21-12)10-22(4)11-16-17(20-19-24(16)5-6-28-19)18(25)23-8-13(2)26-14(3)9-23/h5-7,13-14H,8-11H2,1-4H3/t13-,14+
InChIKeyCCMVODSTSYABRX-OKILXGFUSA-N
XLogP2.57
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)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-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 26393357) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)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-[[methyl-[(3-methyl-1,2-oxazol-5-yl)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-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is Cc1cc(CN(C)Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)on1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is CCMVODSTSYABRX-OKILXGFUSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-12-7-15(27-21-12)10-22(4)11-16-17(20-19-24(16)5-6-28-19)18(25)23-8-13(2)26-14(3)9-23/h5-7,13-14H,8-11H2,1-4H3/t13-,14+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 403.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 26393357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).