methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate

C15H11BrN2O2S — CID 115959773

IUPACmethyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Br)c3cccnc23)sc1C
InChIInChI=1S/C15H11BrN2O2S/c1-8-12(15(19)20-2)18-14(21-8)10-5-6-11(16)9-4-3-7-17-13(9)10/h3-7H,1-2H3
InChIKeyQOODSPXTUWAUHD-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.22
Rot. Bonds2

About methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115959773) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115959773
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC Namemethyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Br)c3cccnc23)sc1C
InChIInChI=1S/C15H11BrN2O2S/c1-8-12(15(19)20-2)18-14(21-8)10-5-6-11(16)9-4-3-7-17-13(9)10/h3-7H,1-2H3
InChIKeyQOODSPXTUWAUHD-UHFFFAOYSA-N
XLogP4.22
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115959776
methyl 2-(2-bromo-5-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306372
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone
CID 112618305
ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate
CID 116526054
methyl 2-isoquinolin-1-yl-5-methyl-1,3-thiazole-4-carboxylate
CID 115422844
methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422946
methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422349
methyl 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306543
methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate
CID 115422841
methyl 5-acetyl-2-(3-bromo-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 106696565
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 112618320
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate (CID 115959773) is methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2ccc(Br)c3cccnc23)sc1C.
What is the InChIKey of methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is QOODSPXTUWAUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c1-8-12(15(19)20-2)18-14(21-8)10-5-6-11(16)9-4-3-7-17-13(9)10/h3-7H,1-2H3.
What are the key properties of methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 363.24 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115959773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).