2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone

C14H19N3OS — CID 116570728

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2cn3ccsc3n2)CCNC1
InChIInChI=1S/C14H19N3OS/c1-2-3-14(4-5-15-10-14)12(18)8-11-9-17-6-7-19-13(17)16-11/h6-7,9,15H,2-5,8,10H2,1H3
InChIKeyUCJYNSIXMQRWDA-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.29
Rot. Bonds5

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

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone (PubChem CID 116570728) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone
PubChem CID116570728
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2cn3ccsc3n2)CCNC1
InChIInChI=1S/C14H19N3OS/c1-2-3-14(4-5-15-10-14)12(18)8-11-9-17-6-7-19-13(17)16-11/h6-7,9,15H,2-5,8,10H2,1H3
InChIKeyUCJYNSIXMQRWDA-UHFFFAOYSA-N
XLogP2.29
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylcyclohexyl)ethanone
CID 106829683
2-(1-methyltriazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 107062032
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-ol
CID 115332763
3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 116680767
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749154
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 115334218
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115335298
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrrolidin-3-ylethanone
CID 116568454
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95727726
1-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 43169456
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146621

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone (CID 116570728) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone is CCCC1(C(=O)Cc2cn3ccsc3n2)CCNC1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone?
The InChIKey is UCJYNSIXMQRWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-3-14(4-5-15-10-14)12(18)8-11-9-17-6-7-19-13(17)16-11/h6-7,9,15H,2-5,8,10H2,1H3.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone has a molecular weight of 277.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116570728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).