3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione

C14H18N4O2S — CID 115334981

IUPAC3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(Cc2cn3ccsc3n2)C1=O
InChIInChI=1S/C14H18N4O2S/c1-3-9(2)12-13(20)18(8-11(19)16-12)7-10-6-17-4-5-21-14(17)15-10/h4-6,9,12H,3,7-8H2,1-2H3,(H,16,19)
InChIKeyXSDIZYRLOQTOLC-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.27
Rot. Bonds4

About 3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione

3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione (PubChem CID 115334981) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione
PubChem CID115334981
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(Cc2cn3ccsc3n2)C1=O
InChIInChI=1S/C14H18N4O2S/c1-3-9(2)12-13(20)18(8-11(19)16-12)7-10-6-17-4-5-21-14(17)15-10/h4-6,9,12H,3,7-8H2,1-2H3,(H,16,19)
InChIKeyXSDIZYRLOQTOLC-UHFFFAOYSA-N
XLogP1.27
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione (CID 115334981) is 3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione is CCC(C)C1NC(=O)CN(Cc2cn3ccsc3n2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione?
The InChIKey is XSDIZYRLOQTOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-9(2)12-13(20)18(8-11(19)16-12)7-10-6-17-4-5-21-14(17)15-10/h4-6,9,12H,3,7-8H2,1-2H3,(H,16,19).
What are the key properties of 3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione?
3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione has a molecular weight of 306.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 115334981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).