2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone

C18H21N3O2S — CID 99937273

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1[C@H]1CCCN1C(=O)CC1=CSC2=NCCN12
InChIInChI=1S/C18H21N3O2S/c1-23-16-7-3-2-5-14(16)15-6-4-9-21(15)17(22)11-13-12-24-18-19-8-10-20(13)18/h2-3,5,7,12,15H,4,6,8-11H2,1H3/t15-/m1/s1
InChIKeyYFFGGLUHITXWMK-OAHLLOKOSA-N
MW343.45 g/mol
LogP3.01
Rot. Bonds4

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 99937273) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
PubChem CID99937273
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccccc1[C@H]1CCCN1C(=O)CC1=CSC2=NCCN12
InChIInChI=1S/C18H21N3O2S/c1-23-16-7-3-2-5-14(16)15-6-4-9-21(15)17(22)11-13-12-24-18-19-8-10-20(13)18/h2-3,5,7,12,15H,4,6,8-11H2,1H3/t15-/m1/s1
InChIKeyYFFGGLUHITXWMK-OAHLLOKOSA-N
XLogP3.01
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 98312687
1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)ethanone
CID 125160088
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 90650188
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
CID 120562159
5-(dimethylamino)-2-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 45245591
1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72837856
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627664
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951145
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118763003
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 118763073

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone (CID 99937273) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone is COc1ccccc1[C@H]1CCCN1C(=O)CC1=CSC2=NCCN12.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is YFFGGLUHITXWMK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-23-16-7-3-2-5-14(16)15-6-4-9-21(15)17(22)11-13-12-24-18-19-8-10-20(13)18/h2-3,5,7,12,15H,4,6,8-11H2,1H3/t15-/m1/s1.
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 343.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 99937273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).