3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one

C13H19N5OS — CID 63606149

IUPAC3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one
SMILESCNCc1c(N2CCNC(=O)C2(C)C)nc2sccn12
InChIInChI=1S/C13H19N5OS/c1-13(2)11(19)15-4-5-18(13)10-9(8-14-3)17-6-7-20-12(17)16-10/h6-7,14H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyGSQVZXWRFFGMRB-UHFFFAOYSA-N
MW293.40 g/mol
LogP0.83
Rot. Bonds3

About 3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one

3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one (PubChem CID 63606149) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one
PubChem CID63606149
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one
SMILESCNCc1c(N2CCNC(=O)C2(C)C)nc2sccn12
InChIInChI=1S/C13H19N5OS/c1-13(2)11(19)15-4-5-18(13)10-9(8-14-3)17-6-7-20-12(17)16-10/h6-7,14H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyGSQVZXWRFFGMRB-UHFFFAOYSA-N
XLogP0.83
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one
CID 55215734
3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one
CID 63606150
N-methyl-1-(6-pyrrolidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476211
4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol
CID 107405457
1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one
CID 102889736
1-[6-(2,6-dimethylmorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476247
1-[6-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 61445305
3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one
CID 63608220
1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-3-carboxamide
CID 43476199
N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine
CID 62888980
1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63150946
4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol
CID 81096884

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one (CID 63606149) is 3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one is CNCc1c(N2CCNC(=O)C2(C)C)nc2sccn12.
What is the InChIKey of 3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one?
The InChIKey is GSQVZXWRFFGMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-13(2)11(19)15-4-5-18(13)10-9(8-14-3)17-6-7-20-12(17)16-10/h6-7,14H,4-5,8H2,1-3H3,(H,15,19).
What are the key properties of 3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one?
3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one has a molecular weight of 293.40 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one is sourced from PubChem (CID 63606149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).