6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

C14H22N4S — CID 115332588

IUPAC6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCCC1CN(Cc2cn3ccsc3n2)C(CC)CN1
InChIInChI=1S/C14H22N4S/c1-3-11-8-18(13(4-2)7-15-11)10-12-9-17-5-6-19-14(17)16-12/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3
InChIKeyVUUFVYWKCMOYBS-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.36
Rot. Bonds4

About 6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115332588) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115332588
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCCC1CN(Cc2cn3ccsc3n2)C(CC)CN1
InChIInChI=1S/C14H22N4S/c1-3-11-8-18(13(4-2)7-15-11)10-12-9-17-5-6-19-14(17)16-12/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3
InChIKeyVUUFVYWKCMOYBS-UHFFFAOYSA-N
XLogP2.36
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-ethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113288915
6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334914
6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334918
2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64946674
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
(2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol
CID 98767333
6-[(2-tert-butylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334835
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-2-carbonitrile
CID 115332607
6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289439
6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 113289352
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 115332588) is 6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is CCC1CN(Cc2cn3ccsc3n2)C(CC)CN1.
What is the InChIKey of 6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is VUUFVYWKCMOYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-3-11-8-18(13(4-2)7-15-11)10-12-9-17-5-6-19-14(17)16-12/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of 6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 278.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115332588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).