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

C17H19N3S — CID 105379278

IUPACN-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc2cc(-c3nc(CNC(C)C)cs3)ccc2n1
InChIInChI=1S/C17H19N3S/c1-11(2)18-9-15-10-21-17(20-15)14-6-7-16-13(8-14)5-4-12(3)19-16/h4-8,10-11,18H,9H2,1-3H3
InChIKeyIHJWXPYAFSSMAW-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.16
Rot. Bonds4

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

N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 105379278) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID105379278
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc2cc(-c3nc(CNC(C)C)cs3)ccc2n1
InChIInChI=1S/C17H19N3S/c1-11(2)18-9-15-10-21-17(20-15)14-6-7-16-13(8-14)5-4-12(3)19-16/h4-8,10-11,18H,9H2,1-3H3
InChIKeyIHJWXPYAFSSMAW-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 105379277
N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 105379279
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60640937
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60683168
N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62096144
N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62096142
N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62388931
N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 61281494
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60641063
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
N-[[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 107935485
N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 63986832

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 105379278) is N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine is Cc1ccc2cc(-c3nc(CNC(C)C)cs3)ccc2n1.
What is the InChIKey of N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is IHJWXPYAFSSMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-11(2)18-9-15-10-21-17(20-15)14-6-7-16-13(8-14)5-4-12(3)19-16/h4-8,10-11,18H,9H2,1-3H3.
What are the key properties of N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 297.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 105379278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).