6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine

C17H18BrN3OS — CID 133337737

IUPAC6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine
SMILESCOC(C)c1nc(CN(C)c2ccc3cc(Br)ccc3n2)cs1
InChIInChI=1S/C17H18BrN3OS/c1-11(22-3)17-19-14(10-23-17)9-21(2)16-7-4-12-8-13(18)5-6-15(12)20-16/h4-8,10-11H,9H2,1-3H3
InChIKeyXMNMVXAXNLXAJX-UHFFFAOYSA-N
MW392.32 g/mol
LogP4.80
Rot. Bonds5

About 6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine

6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine (PubChem CID 133337737) has the molecular formula C17H18BrN3OS and a molecular weight of 392.32 g/mol. Its IUPAC name is 6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine
PubChem CID133337737
Molecular FormulaC17H18BrN3OS
Molecular Weight392.32 g/mol
Exact Mass391.04
IUPAC Name6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine
SMILESCOC(C)c1nc(CN(C)c2ccc3cc(Br)ccc3n2)cs1
InChIInChI=1S/C17H18BrN3OS/c1-11(22-3)17-19-14(10-23-17)9-21(2)16-7-4-12-8-13(18)5-6-15(12)20-16/h4-8,10-11H,9H2,1-3H3
InChIKeyXMNMVXAXNLXAJX-UHFFFAOYSA-N
XLogP4.80
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine
CID 133337708
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine
CID 133410822
6-ethoxy-N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methylpyrazin-2-amine
CID 97234611
5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine
CID 133337743
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide
CID 71981126
2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine
CID 133337716
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133337753
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine
CID 133274872
1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
CID 99775487
6-ethyl-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 133337775
3-chloro-2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]benzonitrile
CID 133337732

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine?
The IUPAC name of 6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine (CID 133337737) is 6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine.
What is the SMILES notation for 6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine?
The canonical SMILES for 6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine is COC(C)c1nc(CN(C)c2ccc3cc(Br)ccc3n2)cs1.
What is the InChIKey of 6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine?
The InChIKey is XMNMVXAXNLXAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3OS/c1-11(22-3)17-19-14(10-23-17)9-21(2)16-7-4-12-8-13(18)5-6-15(12)20-16/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine?
6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine has a molecular weight of 392.32 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine is sourced from PubChem (CID 133337737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).