6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole

C13H17ClN2S — CID 115334773

IUPAC6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESClC1CCCCC(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C13H17ClN2S/c14-11-4-2-1-3-10(7-11)8-12-9-16-5-6-17-13(16)15-12/h5-6,9-11H,1-4,7-8H2
InChIKeyDZALOJLDFGHPHV-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.13
Rot. Bonds2

About 6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole

6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115334773) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115334773
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESClC1CCCCC(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C13H17ClN2S/c14-11-4-2-1-3-10(7-11)8-12-9-16-5-6-17-13(16)15-12/h5-6,9-11H,1-4,7-8H2
InChIKeyDZALOJLDFGHPHV-UHFFFAOYSA-N
XLogP4.13
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519
6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334149
6-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]imidazo[2,1-b][1,3]thiazole
CID 112571066
4-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine
CID 115332381
N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 115335410
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 163316234
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334166
(4-cyclohexyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-yl)hydrazine
CID 105328743
1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332915
1-(3-ethylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333760

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole (CID 115334773) is 6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole is ClC1CCCCC(Cc2cn3ccsc3n2)C1.
What is the InChIKey of 6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is DZALOJLDFGHPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c14-11-4-2-1-3-10(7-11)8-12-9-16-5-6-17-13(16)15-12/h5-6,9-11H,1-4,7-8H2.
What are the key properties of 6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 268.81 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115334773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).