6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione

C13H16N4O2S — CID 115334976

IUPAC6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1Cc1cn2ccsc2n1
InChIInChI=1S/C13H16N4O2S/c1-3-13(2)11(19)14-6-10(18)17(13)8-9-7-16-4-5-20-12(16)15-9/h4-5,7H,3,6,8H2,1-2H3,(H,14,19)
InChIKeyWZAKNUHQJPXKHJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.02
Rot. Bonds3

About 6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione

6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione (PubChem CID 115334976) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione
PubChem CID115334976
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1Cc1cn2ccsc2n1
InChIInChI=1S/C13H16N4O2S/c1-3-13(2)11(19)14-6-10(18)17(13)8-9-7-16-4-5-20-12(16)15-9/h4-5,7H,3,6,8H2,1-2H3,(H,14,19)
InChIKeyWZAKNUHQJPXKHJ-UHFFFAOYSA-N
XLogP1.02
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione with MolForge

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Related Compounds

(3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one
CID 95210948
6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82871112
6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334823
6-ethyl-6-methyl-1-pentylpiperazine-2,5-dione
CID 64879719
6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334914
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115335298
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 115334204
6-[(5-cyclopropyl-2-ethyl-2-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334922
6-[(2-ethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113288915
6-[(2-methylimidazol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 78918699
6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115332588
3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione
CID 115334981

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione (CID 115334976) is 6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione is CCC1(C)C(=O)NCC(=O)N1Cc1cn2ccsc2n1.
What is the InChIKey of 6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is WZAKNUHQJPXKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-13(2)11(19)14-6-10(18)17(13)8-9-7-16-4-5-20-12(16)15-9/h4-5,7H,3,6,8H2,1-2H3,(H,14,19).
What are the key properties of 6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione?
6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione has a molecular weight of 292.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 115334976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).