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

C18H21N3OS — CID 133337708

IUPACN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine
SMILESCOC(C)c1nc(CN(C)c2cc(C)nc3ccccc23)cs1
InChIInChI=1S/C18H21N3OS/c1-12-9-17(15-7-5-6-8-16(15)19-12)21(3)10-14-11-23-18(20-14)13(2)22-4/h5-9,11,13H,10H2,1-4H3
InChIKeyPPJQHCGWGFBPJL-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.34
Rot. Bonds5

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

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine (PubChem CID 133337708) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine
PubChem CID133337708
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine
SMILESCOC(C)c1nc(CN(C)c2cc(C)nc3ccccc23)cs1
InChIInChI=1S/C18H21N3OS/c1-12-9-17(15-7-5-6-8-16(15)19-12)21(3)10-14-11-23-18(20-14)13(2)22-4/h5-9,11,13H,10H2,1-4H3
InChIKeyPPJQHCGWGFBPJL-UHFFFAOYSA-N
XLogP4.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinazolin-4-amine
CID 133337716
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine
CID 133410822
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133337753
1-[methyl-(2-methylquinolin-4-yl)amino]propan-2-ol
CID 55060878
N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine
CID 60871553
6-bromo-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylquinolin-2-amine
CID 133337737
(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 95787187
2-[methyl-(2-methylquinolin-4-yl)amino]ethanol
CID 60716400
5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine
CID 133337743
N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine
CID 79660068
N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 96529611
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine?
The IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine (CID 133337708) is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine?
The canonical SMILES for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine is COC(C)c1nc(CN(C)c2cc(C)nc3ccccc23)cs1.
What is the InChIKey of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine?
The InChIKey is PPJQHCGWGFBPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12-9-17(15-7-5-6-8-16(15)19-12)21(3)10-14-11-23-18(20-14)13(2)22-4/h5-9,11,13H,10H2,1-4H3.
What are the key properties of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine?
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine has a molecular weight of 327.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylquinolin-4-amine is sourced from PubChem (CID 133337708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).