N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine

C21H19N3OS — CID 169487705

IUPACN-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine
SMILESCCOc1ccc2nc(C)cc(Nc3nc(-c4ccccc4)cs3)c2c1
InChIInChI=1S/C21H19N3OS/c1-3-25-16-9-10-18-17(12-16)19(11-14(2)22-18)23-21-24-20(13-26-21)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,22,23,24)
InChIKeyXPUIITLNCKGFBC-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.81
Rot. Bonds5

About N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine

N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 169487705) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID169487705
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC NameN-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine
SMILESCCOc1ccc2nc(C)cc(Nc3nc(-c4ccccc4)cs3)c2c1
InChIInChI=1S/C21H19N3OS/c1-3-25-16-9-10-18-17(12-16)19(11-14(2)22-18)23-21-24-20(13-26-21)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,22,23,24)
InChIKeyXPUIITLNCKGFBC-UHFFFAOYSA-N
XLogP5.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-2-methylquinolin-4-yl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
CID 169487709
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 94841954
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
CID 169487758
6-ethoxy-2-methyl-N-quinolin-8-ylquinolin-4-amine
CID 169487796
4-(4-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
CID 169487793

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine (CID 169487705) is N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine is CCOc1ccc2nc(C)cc(Nc3nc(-c4ccccc4)cs3)c2c1.
What is the InChIKey of N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is XPUIITLNCKGFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-3-25-16-9-10-18-17(12-16)19(11-14(2)22-18)23-21-24-20(13-26-21)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,22,23,24).
What are the key properties of N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine?
N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 361.47 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 169487705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).