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

C14H16N4OS2 — CID 90650188

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1=CSC2=NCCN12)N1CCCC1c1nccs1
InChIInChI=1S/C14H16N4OS2/c19-12(8-10-9-21-14-16-3-6-17(10)14)18-5-1-2-11(18)13-15-4-7-20-13/h4,7,9,11H,1-3,5-6,8H2
InChIKeyIWMUDWOSVINLQU-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.46
Rot. Bonds3

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

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 90650188) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID90650188
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1=CSC2=NCCN12)N1CCCC1c1nccs1
InChIInChI=1S/C14H16N4OS2/c19-12(8-10-9-21-14-16-3-6-17(10)14)18-5-1-2-11(18)13-15-4-7-20-13/h4,7,9,11H,1-3,5-6,8H2
InChIKeyIWMUDWOSVINLQU-UHFFFAOYSA-N
XLogP2.46
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 99937273
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
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 99972667
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 91840506
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
4-piperidin-1-yl-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97194601
3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086651
cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 58171477

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 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) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone is O=C(CC1=CSC2=NCCN12)N1CCCC1c1nccs1.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is IWMUDWOSVINLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c19-12(8-10-9-21-14-16-3-6-17(10)14)18-5-1-2-11(18)13-15-4-7-20-13/h4,7,9,11H,1-3,5-6,8H2.
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 320.44 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 90650188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).