3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one

C14H18N4O2S — CID 63606359

IUPAC3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one
SMILESCc1cn2c(CC(=O)N3CCNC(=O)C3(C)C)csc2n1
InChIInChI=1S/C14H18N4O2S/c1-9-7-17-10(8-21-13(17)16-9)6-11(19)18-5-4-15-12(20)14(18,2)3/h7-8H,4-6H2,1-3H3,(H,15,20)
InChIKeyJMFSSUHJKNHVNY-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.98
Rot. Bonds2

About 3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one

3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one (PubChem CID 63606359) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one
PubChem CID63606359
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one
SMILESCc1cn2c(CC(=O)N3CCNC(=O)C3(C)C)csc2n1
InChIInChI=1S/C14H18N4O2S/c1-9-7-17-10(8-21-13(17)16-9)6-11(19)18-5-4-15-12(20)14(18,2)3/h7-8H,4-6H2,1-3H3,(H,15,20)
InChIKeyJMFSSUHJKNHVNY-UHFFFAOYSA-N
XLogP0.98
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one (CID 63606359) is 3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one is Cc1cn2c(CC(=O)N3CCNC(=O)C3(C)C)csc2n1.
What is the InChIKey of 3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one?
The InChIKey is JMFSSUHJKNHVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-7-17-10(8-21-13(17)16-9)6-11(19)18-5-4-15-12(20)14(18,2)3/h7-8H,4-6H2,1-3H3,(H,15,20).
What are the key properties of 3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one?
3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one has a molecular weight of 306.39 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 63606359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).