6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole

C13H17ClN2S — CID 115334149

IUPAC6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCC1CCC(Cl)C(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C13H17ClN2S/c1-9-2-3-12(14)10(6-9)7-11-8-16-4-5-17-13(16)15-11/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyUOQBUTIOPWPTKI-UHFFFAOYSA-N
MW268.81 g/mol
LogP3.98
Rot. Bonds2

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

6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115334149) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115334149
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCC1CCC(Cl)C(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C13H17ClN2S/c1-9-2-3-12(14)10(6-9)7-11-8-16-4-5-17-13(16)15-11/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyUOQBUTIOPWPTKI-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
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

6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334773
4-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine
CID 115332381
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 115334747
N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 115335393
6-[(2-bromo-5-tert-butylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334166
6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289291
1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519
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
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylcyclohexan-1-amine
CID 113289084

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole (CID 115334149) is 6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole is CC1CCC(Cl)C(Cc2cn3ccsc3n2)C1.
What is the InChIKey of 6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is UOQBUTIOPWPTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c1-9-2-3-12(14)10(6-9)7-11-8-16-4-5-17-13(16)15-11/h4-5,8-10,12H,2-3,6-7H2,1H3.
What are the key properties of 6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 268.81 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-5-methylcyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115334149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).