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

C16H16BrN3S — CID 107079123

IUPAC5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCC1CCc2ccccc2N1c1nc2sccn2c1CBr
InChIInChI=1S/C16H16BrN3S/c1-11-6-7-12-4-2-3-5-13(12)20(11)15-14(10-17)19-8-9-21-16(19)18-15/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyVTTVSUIBAZFMST-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.76
Rot. Bonds2

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

5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 107079123) has the molecular formula C16H16BrN3S and a molecular weight of 362.30 g/mol. Its IUPAC name is 5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID107079123
Molecular FormulaC16H16BrN3S
Molecular Weight362.30 g/mol
Exact Mass361.02
IUPAC Name5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole
SMILESCC1CCc2ccccc2N1c1nc2sccn2c1CBr
InChIInChI=1S/C16H16BrN3S/c1-11-6-7-12-4-2-3-5-13(12)20(11)15-14(10-17)19-8-9-21-16(19)18-15/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyVTTVSUIBAZFMST-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
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

[6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63551420
1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 63445545
4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2-ethylmorpholine
CID 107080327
1-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
CID 55080188
5-(chloromethyl)-6-(4-methylazepan-1-yl)imidazo[2,1-b][1,3]thiazole
CID 63623554
4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine
CID 43544828
4-[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-thiazinane 1,1-dioxide
CID 107080490
5-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 107084387
N,2-dimethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80755891
5-(chloromethyl)-6-(2-propylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 83055338
2-[6-(2,3-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63783425
3-(bromomethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 107080729

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole (CID 107079123) is 5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole is CC1CCc2ccccc2N1c1nc2sccn2c1CBr.
What is the InChIKey of 5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is VTTVSUIBAZFMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3S/c1-11-6-7-12-4-2-3-5-13(12)20(11)15-14(10-17)19-8-9-21-16(19)18-15/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of 5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole?
5-(bromomethyl)-6-(2-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 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 107079123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).