2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole

C18H13BrN2S — CID 159583059

IUPAC2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-c3ccc4nc(C)cc(Br)c4c3)sc2c1
InChIInChI=1S/C18H13BrN2S/c1-10-3-5-16-17(7-10)22-18(21-16)12-4-6-15-13(9-12)14(19)8-11(2)20-15/h3-9H,1-2H3
InChIKeyMJGMHSDAJGOJIS-UHFFFAOYSA-N
MW369.29 g/mol
LogP5.89
Rot. Bonds1

About 2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole

2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole (PubChem CID 159583059) has the molecular formula C18H13BrN2S and a molecular weight of 369.29 g/mol. Its IUPAC name is 2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole
PubChem CID159583059
Molecular FormulaC18H13BrN2S
Molecular Weight369.29 g/mol
Exact Mass368.00
IUPAC Name2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-c3ccc4nc(C)cc(Br)c4c3)sc2c1
InChIInChI=1S/C18H13BrN2S/c1-10-3-5-16-17(7-10)22-18(21-16)12-4-6-15-13(9-12)14(19)8-11(2)20-15/h3-9H,1-2H3
InChIKeyMJGMHSDAJGOJIS-UHFFFAOYSA-N
XLogP5.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.29
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 50849900
2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
CID 50849818
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
2-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105357
2-bromo-5-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 107813631
6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
CID 169487793
2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
CID 166850337
5-(6-methyl-1,3-benzothiazol-2-yl)-1H-indole-2,3-dione
CID 16794953
[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiourea
CID 82030663
N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]methanesulfonamide
CID 164804574

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole (CID 159583059) is 2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole is Cc1ccc2nc(-c3ccc4nc(C)cc(Br)c4c3)sc2c1.
What is the InChIKey of 2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole?
The InChIKey is MJGMHSDAJGOJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2S/c1-10-3-5-16-17(7-10)22-18(21-16)12-4-6-15-13(9-12)14(19)8-11(2)20-15/h3-9H,1-2H3.
What are the key properties of 2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole?
2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole has a molecular weight of 369.29 g/mol, XLogP of 5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylquinolin-6-yl)-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 159583059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).