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

C12H15BrN2S — CID 116540779

IUPAC6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCC1(Cc2cn3ccsc3n2)CCC(Br)C1
InChIInChI=1S/C12H15BrN2S/c1-12(3-2-9(13)6-12)7-10-8-15-4-5-16-11(15)14-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyZQFZSOKYGJKHKO-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.89
Rot. Bonds2

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

6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 116540779) has the molecular formula C12H15BrN2S and a molecular weight of 299.24 g/mol. Its IUPAC name is 6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID116540779
Molecular FormulaC12H15BrN2S
Molecular Weight299.24 g/mol
Exact Mass298.01
IUPAC Name6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCC1(Cc2cn3ccsc3n2)CCC(Br)C1
InChIInChI=1S/C12H15BrN2S/c1-12(3-2-9(13)6-12)7-10-8-15-4-5-16-11(15)14-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyZQFZSOKYGJKHKO-UHFFFAOYSA-N
XLogP3.89
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.89
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-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylcyclohexan-1-amine
CID 113289084
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 115333037
4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine
CID 112562533
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961108
[3-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methanamine
CID 115335047
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 115333027
4-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexane-1-carboxylic acid
CID 115335060
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 115334382
6-[(2-tert-butylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289246
4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332906
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-propylcycloheptan-1-amine
CID 115333031

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole (CID 116540779) is 6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole is CC1(Cc2cn3ccsc3n2)CCC(Br)C1.
What is the InChIKey of 6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is ZQFZSOKYGJKHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2S/c1-12(3-2-9(13)6-12)7-10-8-15-4-5-16-11(15)14-10/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 299.24 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 116540779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).