1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile

C11H13N5S — CID 115332607

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C11H13N5S/c12-5-10-6-13-1-2-15(10)7-9-8-16-3-4-17-11(16)14-9/h3-4,8,10,13H,1-2,6-7H2
InChIKeyWMUBUUIEWTUQLR-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.69
Rot. Bonds2

About 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile (PubChem CID 115332607) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile
PubChem CID115332607
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C11H13N5S/c12-5-10-6-13-1-2-15(10)7-9-8-16-3-4-17-11(16)14-9/h3-4,8,10,13H,1-2,6-7H2
InChIKeyWMUBUUIEWTUQLR-UHFFFAOYSA-N
XLogP0.69
TPSA56.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile 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

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
CID 115331828
6-[(2-ethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113288915
6-[(2-tert-butylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334835
6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289439
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 115332595
1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile
CID 82868583
6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115332588
6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334931
1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile
CID 79086103
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900673
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile
CID 79085040

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile (CID 115332607) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile is N#CC1CNCCN1Cc1cn2ccsc2n1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile?
The InChIKey is WMUBUUIEWTUQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c12-5-10-6-13-1-2-15(10)7-9-8-16-3-4-17-11(16)14-9/h3-4,8,10,13H,1-2,6-7H2.
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile has a molecular weight of 247.33 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile is sourced from PubChem (CID 115332607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).