4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione

C12H12N4O3S — CID 66062499

IUPAC4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C12H12N4O3S/c1-7-11(19)14-9(17)6-16(7)10(18)4-8-5-15-2-3-20-12(15)13-8/h2-3,5,7H,4,6H2,1H3,(H,14,17,19)
InChIKeyDUDOCVRCVHNZEJ-UHFFFAOYSA-N
MW292.32 g/mol
LogP-0.19
Rot. Bonds2

About 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione

4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione (PubChem CID 66062499) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione
PubChem CID66062499
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C12H12N4O3S/c1-7-11(19)14-9(17)6-16(7)10(18)4-8-5-15-2-3-20-12(15)13-8/h2-3,5,7H,4,6H2,1H3,(H,14,17,19)
InChIKeyDUDOCVRCVHNZEJ-UHFFFAOYSA-N
XLogP-0.19
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61145260
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2,5-dihydropyrrole-2-carboxylic acid
CID 121496999
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129370420
(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61136837
(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-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95311567
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56718537
(2S,4R)-4-amino-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 56705779
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 116680767

Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione (CID 66062499) is 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione?
The InChIKey is DUDOCVRCVHNZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-7-11(19)14-9(17)6-16(7)10(18)4-8-5-15-2-3-20-12(15)13-8/h2-3,5,7H,4,6H2,1H3,(H,14,17,19).
What are the key properties of 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione?
4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione has a molecular weight of 292.32 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).