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

C14H21N5OS — CID 63608220

IUPAC3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one
SMILESCCCNCc1c(N2CCNC(=O)C2C)nc2sccn12
InChIInChI=1S/C14H21N5OS/c1-3-4-15-9-11-12(17-14-19(11)7-8-21-14)18-6-5-16-13(20)10(18)2/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,20)
InChIKeyHAXNNZJYTUQJNU-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.22
Rot. Bonds5

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

3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one (PubChem CID 63608220) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one
PubChem CID63608220
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one
SMILESCCCNCc1c(N2CCNC(=O)C2C)nc2sccn12
InChIInChI=1S/C14H21N5OS/c1-3-4-15-9-11-12(17-14-19(11)7-8-21-14)18-6-5-16-13(20)10(18)2/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,20)
InChIKeyHAXNNZJYTUQJNU-UHFFFAOYSA-N
XLogP1.22
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methyl-3-oxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63607673
N-[[6-(2-ethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine
CID 43476440
3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63607028
4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione
CID 66063544
N-[[6-(2-ethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methoxyethanamine
CID 63060055
N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476286
N-[[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 79188181
1-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,2,4-triazole-3-carbonitrile
CID 62951049
3,3-dimethyl-4-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one
CID 63606149
N-[[6-(2-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 54882321
3-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66127925
N-[[6-(2,3-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 62124839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one (CID 63608220) is 3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one is CCCNCc1c(N2CCNC(=O)C2C)nc2sccn12.
What is the InChIKey of 3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one?
The InChIKey is HAXNNZJYTUQJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-3-4-15-9-11-12(17-14-19(11)7-8-21-14)18-6-5-16-13(20)10(18)2/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,20).
What are the key properties of 3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one?
3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one has a molecular weight of 307.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperazin-2-one is sourced from PubChem (CID 63608220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).