3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one

C17H22N4O2S — CID 56718537

IUPAC3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESO=C1CCC2(CCN1)CCN(C(=O)Cc1cn3ccsc3n1)CC2
InChIInChI=1S/C17H22N4O2S/c22-14-1-2-17(3-6-18-14)4-7-20(8-5-17)15(23)11-13-12-21-9-10-24-16(21)19-13/h9-10,12H,1-8,11H2,(H,18,22)
InChIKeyLEMLCRMNOBQCBC-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.85
Rot. Bonds2

About 3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one

3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56718537) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56718537
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESO=C1CCC2(CCN1)CCN(C(=O)Cc1cn3ccsc3n1)CC2
InChIInChI=1S/C17H22N4O2S/c22-14-1-2-17(3-6-18-14)4-7-20(8-5-17)15(23)11-13-12-21-9-10-24-16(21)19-13/h9-10,12H,1-8,11H2,(H,18,22)
InChIKeyLEMLCRMNOBQCBC-UHFFFAOYSA-N
XLogP1.85
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146621
(3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one
CID 95210948
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95591217
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95750560
(5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95726109
7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911026
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 27514609
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]ethanone
CID 78905037
4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione
CID 66062499
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997345
2-ethyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 83059950
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 38910901

Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 56718537) is 3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one is O=C1CCC2(CCN1)CCN(C(=O)Cc1cn3ccsc3n1)CC2.
What is the InChIKey of 3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is LEMLCRMNOBQCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c22-14-1-2-17(3-6-18-14)4-7-20(8-5-17)15(23)11-13-12-21-9-10-24-16(21)19-13/h9-10,12H,1-8,11H2,(H,18,22).
What are the key properties of 3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 346.46 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56718537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).