6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

C13H18ClN3S — CID 113289352

IUPAC6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESClCCC1CCCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C13H18ClN3S/c14-5-4-12-3-1-2-6-16(12)9-11-10-17-7-8-18-13(17)15-11/h7-8,10,12H,1-6,9H2
InChIKeyLPIUMMHBZZPPDT-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.38
Rot. Bonds4

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

6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 113289352) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is 6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID113289352
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESClCCC1CCCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C13H18ClN3S/c14-5-4-12-3-1-2-6-16(12)9-11-10-17-7-8-18-13(17)15-11/h7-8,10,12H,1-6,9H2
InChIKeyLPIUMMHBZZPPDT-UHFFFAOYSA-N
XLogP3.38
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 115332080
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carbonitrile
CID 115331828
2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 115331879
6-[(2-ethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113288915
tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate
CID 80998122
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
N-(2-chloroethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutanamine
CID 102861387
6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole
CID 112571066
6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289439
[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 96540784
2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926525

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 113289352) is 6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is ClCCC1CCCCN1Cc1cn2ccsc2n1.
What is the InChIKey of 6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is LPIUMMHBZZPPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c14-5-4-12-3-1-2-6-16(12)9-11-10-17-7-8-18-13(17)15-11/h7-8,10,12H,1-6,9H2.
What are the key properties of 6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 283.83 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-chloroethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 113289352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).