5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole

C16H16BrN3S — CID 107079637

IUPAC5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc2c(c1)CCCN2c1nc2sccn2c1CBr
InChIInChI=1S/C16H16BrN3S/c1-11-4-5-13-12(9-11)3-2-6-19(13)15-14(10-17)20-7-8-21-16(20)18-15/h4-5,7-9H,2-3,6,10H2,1H3
InChIKeyFCYHEXOIAZQAQE-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.68
Rot. Bonds2

About 5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole

5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 107079637) has the molecular formula C16H16BrN3S and a molecular weight of 362.30 g/mol. Its IUPAC name is 5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID107079637
Molecular FormulaC16H16BrN3S
Molecular Weight362.30 g/mol
Exact Mass361.02
IUPAC Name5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc2c(c1)CCCN2c1nc2sccn2c1CBr
InChIInChI=1S/C16H16BrN3S/c1-11-4-5-13-12(9-11)3-2-6-19(13)15-14(10-17)20-7-8-21-16(20)18-15/h4-5,7-9H,2-3,6,10H2,1H3
InChIKeyFCYHEXOIAZQAQE-UHFFFAOYSA-N
XLogP4.68
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.68
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-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 63445814
5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 107079123
5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid
CID 114405287
N,2,5-trimethyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80755883
1-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N,N-dimethylpiperidin-3-amine
CID 107084284
N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62279125
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 94674661
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62755045
[6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63551420
N-methyl-1-[6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanamine
CID 66456783
1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 83093286

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole (CID 107079637) is 5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole is Cc1ccc2c(c1)CCCN2c1nc2sccn2c1CBr.
What is the InChIKey of 5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is FCYHEXOIAZQAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3S/c1-11-4-5-13-12(9-11)3-2-6-19(13)15-14(10-17)20-7-8-21-16(20)18-15/h4-5,7-9H,2-3,6,10H2,1H3.
What are the key properties of 5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole?
5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 362.30 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 107079637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).