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

C18H26N4O3S — CID 25287358

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3sccn3c2CN2CCC[C@H]2CO)C[C@H](C)O1
InChIInChI=1S/C18H26N4O3S/c1-12-8-21(9-13(2)25-12)17(24)16-15(22-6-7-26-18(22)19-16)10-20-5-3-4-14(20)11-23/h6-7,12-14,23H,3-5,8-11H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyLPPZBYKYQCTUBZ-MJBXVCDLSA-N
MW378.50 g/mol
LogP1.60
Rot. Bonds4

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

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 25287358) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID25287358
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2nc3sccn3c2CN2CCC[C@H]2CO)C[C@H](C)O1
InChIInChI=1S/C18H26N4O3S/c1-12-8-21(9-13(2)25-12)17(24)16-15(22-6-7-26-18(22)19-16)10-20-5-3-4-14(20)11-23/h6-7,12-14,23H,3-5,8-11H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyLPPZBYKYQCTUBZ-MJBXVCDLSA-N
XLogP1.60
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.60
H-Bond Donors ≤ 51
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-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 25287358) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]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-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is C[C@@H]1CN(C(=O)c2nc3sccn3c2CN2CCC[C@H]2CO)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is LPPZBYKYQCTUBZ-MJBXVCDLSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-12-8-21(9-13(2)25-12)17(24)16-15(22-6-7-26-18(22)19-16)10-20-5-3-4-14(20)11-23/h6-7,12-14,23H,3-5,8-11H2,1-2H3/t12-,13+,14-/m0/s1.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 378.50 g/mol, XLogP of 1.60, 4 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-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 25287358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).