(2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone

C19H20FN3O2S — CID 3243898

IUPAC(2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
SMILESCc1c(C(=O)N2CC(C)OC(C)C2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H20FN3O2S/c1-11-8-22(9-12(2)25-11)18(24)17-13(3)23-10-16(21-19(23)26-17)14-4-6-15(20)7-5-14/h4-7,10-12H,8-9H2,1-3H3
InChIKeyBYXVPIYVBOVFHA-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.76
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone (PubChem CID 3243898) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
PubChem CID3243898
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
SMILESCc1c(C(=O)N2CC(C)OC(C)C2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H20FN3O2S/c1-11-8-22(9-12(2)25-11)18(24)17-13(3)23-10-16(21-19(23)26-17)14-4-6-15(20)7-5-14/h4-7,10-12H,8-9H2,1-3H3
InChIKeyBYXVPIYVBOVFHA-UHFFFAOYSA-N
XLogP3.76
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone (CID 3243898) is (2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone is Cc1c(C(=O)N2CC(C)OC(C)C2)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
The InChIKey is BYXVPIYVBOVFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-11-8-22(9-12(2)25-11)18(24)17-13(3)23-10-16(21-19(23)26-17)14-4-6-15(20)7-5-14/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone has a molecular weight of 373.45 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone is sourced from PubChem (CID 3243898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).