2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone

C18H19N3OS — CID 95289056

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1[C@@H]1CCN(C(=O)Cc2cn3ccsc3n2)C1
InChIInChI=1S/C18H19N3OS/c1-13-4-2-3-5-16(13)14-6-7-20(11-14)17(22)10-15-12-21-8-9-23-18(21)19-15/h2-5,8-9,12,14H,6-7,10-11H2,1H3/t14-/m1/s1
InChIKeyDPBQMPUTPVRHTG-CQSZACIVSA-N
MW325.44 g/mol
LogP3.26
Rot. Bonds3

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 95289056) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID95289056
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1[C@@H]1CCN(C(=O)Cc2cn3ccsc3n2)C1
InChIInChI=1S/C18H19N3OS/c1-13-4-2-3-5-16(13)14-6-7-20(11-14)17(22)10-15-12-21-8-9-23-18(21)19-15/h2-5,8-9,12,14H,6-7,10-11H2,1H3/t14-/m1/s1
InChIKeyDPBQMPUTPVRHTG-CQSZACIVSA-N
XLogP3.26
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95591217
1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 56914148
(3R)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperidine-3-carboxylic acid
CID 81118544
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 74238119
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 95279097
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997345
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646156
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723706
3-methyl-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 95296201
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 70729152
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94616471

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone (CID 95289056) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone is Cc1ccccc1[C@@H]1CCN(C(=O)Cc2cn3ccsc3n2)C1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is DPBQMPUTPVRHTG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-4-2-3-5-16(13)14-6-7-20(11-14)17(22)10-15-12-21-8-9-23-18(21)19-15/h2-5,8-9,12,14H,6-7,10-11H2,1H3/t14-/m1/s1.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 325.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95289056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).