[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

C23H20FN3O2S — CID 42512545

IUPAC[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1[C@H]1CCCN1C(=O)c1csc2nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C23H20FN3O2S/c1-29-21-10-3-2-8-17(21)19-9-5-11-26(19)22(28)20-14-30-23-25-18(13-27(20)23)15-6-4-7-16(24)12-15/h2-4,6-8,10,12-14,19H,5,9,11H2,1H3/t19-/m1/s1
InChIKeyWEHYRECWJYVGOA-LJQANCHMSA-N
MW421.50 g/mol
LogP5.19
Rot. Bonds4

About [6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 42512545) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is [6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID42512545
Molecular FormulaC23H20FN3O2S
Molecular Weight421.50 g/mol
Exact Mass421.13
IUPAC Name[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1[C@H]1CCCN1C(=O)c1csc2nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C23H20FN3O2S/c1-29-21-10-3-2-8-17(21)19-9-5-11-26(19)22(28)20-14-30-23-25-18(13-27(20)23)15-6-4-7-16(24)12-15/h2-4,6-8,10,12-14,19H,5,9,11H2,1H3/t19-/m1/s1
InChIKeyWEHYRECWJYVGOA-LJQANCHMSA-N
XLogP5.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide
CID 42286268
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 77087483
N-(3-fluorophenyl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270856
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270073
6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42595571
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
N-(2-methoxyphenyl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270820
[4-(aminomethyl)phenyl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119316524
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
N-(3-methoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271413
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 166188039
N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide
CID 50839588

Frequently Asked Questions

What is the IUPAC name of [6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 42512545) is [6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccccc1[C@H]1CCCN1C(=O)c1csc2nc(-c3cccc(F)c3)cn12.
What is the InChIKey of [6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is WEHYRECWJYVGOA-LJQANCHMSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c1-29-21-10-3-2-8-17(21)19-9-5-11-26(19)22(28)20-14-30-23-25-18(13-27(20)23)15-6-4-7-16(24)12-15/h2-4,6-8,10,12-14,19H,5,9,11H2,1H3/t19-/m1/s1.
What are the key properties of [6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 421.50 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42512545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).