6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

C13H20N4S — CID 115334823

IUPAC6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCCC1(C)CN(Cc2cn3ccsc3n2)CCN1
InChIInChI=1S/C13H20N4S/c1-3-13(2)10-16(5-4-14-13)8-11-9-17-6-7-18-12(17)15-11/h6-7,9,14H,3-5,8,10H2,1-2H3
InChIKeyPFOBUQAOCMIBRL-UHFFFAOYSA-N
MW264.40 g/mol
LogP1.97
Rot. Bonds3

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

6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115334823) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115334823
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCCC1(C)CN(Cc2cn3ccsc3n2)CCN1
InChIInChI=1S/C13H20N4S/c1-3-13(2)10-16(5-4-14-13)8-11-9-17-6-7-18-12(17)15-11/h6-7,9,14H,3-5,8,10H2,1-2H3
InChIKeyPFOBUQAOCMIBRL-UHFFFAOYSA-N
XLogP1.97
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64834447
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
6-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 102850313
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylpiperidine-3-carboxylic acid
CID 113288983
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334914
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334943
6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione
CID 115334976
6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334931
5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64953207
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115335298

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 115334823) is 6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is CCC1(C)CN(Cc2cn3ccsc3n2)CCN1.
What is the InChIKey of 6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is PFOBUQAOCMIBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-3-13(2)10-16(5-4-14-13)8-11-9-17-6-7-18-12(17)15-11/h6-7,9,14H,3-5,8,10H2,1-2H3.
What are the key properties of 6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 264.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115334823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).