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

C11H16N4S — CID 104975458

IUPAC6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESC[C@@H]1CN(Cc2cn3ccsc3n2)CCN1
InChIInChI=1S/C11H16N4S/c1-9-6-14(3-2-12-9)7-10-8-15-4-5-16-11(15)13-10/h4-5,8-9,12H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyCZKCHLDXKXMXPI-SECBINFHSA-N
MW236.34 g/mol
LogP1.19
Rot. Bonds2

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

6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 104975458) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID104975458
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESC[C@@H]1CN(Cc2cn3ccsc3n2)CCN1
InChIInChI=1S/C11H16N4S/c1-9-6-14(3-2-12-9)7-10-8-15-4-5-16-11(15)13-10/h4-5,8-9,12H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyCZKCHLDXKXMXPI-SECBINFHSA-N
XLogP1.19
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334931
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334823
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 65450164
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
CID 113288904
6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289439
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
(2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol
CID 98767333
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine-2-carbothioamide
CID 115331860
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 115332085
6-[(2-ethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113288915
6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115332588

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 104975458) is 6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is C[C@@H]1CN(Cc2cn3ccsc3n2)CCN1.
What is the InChIKey of 6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is CZKCHLDXKXMXPI-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N4S/c1-9-6-14(3-2-12-9)7-10-8-15-4-5-16-11(15)13-10/h4-5,8-9,12H,2-3,6-7H2,1H3/t9-/m1/s1.
What are the key properties of 6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 236.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 104975458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).