4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one

C11H14N4O2S — CID 64695935

IUPAC4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2nc3sccn3c2CO)CC1=O
InChIInChI=1S/C11H14N4O2S/c1-13-2-3-14(6-9(13)17)10-8(7-16)15-4-5-18-11(15)12-10/h4-5,16H,2-3,6-7H2,1H3
InChIKeyJVFJPGZVBWISGW-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.17
Rot. Bonds2

About 4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one

4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one (PubChem CID 64695935) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one
PubChem CID64695935
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2nc3sccn3c2CO)CC1=O
InChIInChI=1S/C11H14N4O2S/c1-13-2-3-14(6-9(13)17)10-8(7-16)15-4-5-18-11(15)12-10/h4-5,16H,2-3,6-7H2,1H3
InChIKeyJVFJPGZVBWISGW-UHFFFAOYSA-N
XLogP0.17
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one
CID 102889682
1-methyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-2-one
CID 102889736
[6-(azepan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 16779989
1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-4-methylpiperidin-4-ol
CID 81103549
[6-(4-ethyl-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 63158682
[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 66392728
[6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476364
2-methyl-N-[[6-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63058722
N-methyl-1-(6-pyrrolidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476211
2-[4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887757
[1-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102782269
(6-thiomorpholin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476395

Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one (CID 64695935) is 4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one is CN1CCN(c2nc3sccn3c2CO)CC1=O.
What is the InChIKey of 4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one?
The InChIKey is JVFJPGZVBWISGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-13-2-3-14(6-9(13)17)10-8(7-16)15-4-5-18-11(15)12-10/h4-5,16H,2-3,6-7H2,1H3.
What are the key properties of 4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one?
4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one has a molecular weight of 266.33 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64695935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).