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

C17H19N3S — CID 105379123

IUPACN-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2nc(C)ccc2c1)c1nccs1
InChIInChI=1S/C17H19N3S/c1-3-8-18-16(17-19-9-10-21-17)14-6-7-15-13(11-14)5-4-12(2)20-15/h4-7,9-11,16,18H,3,8H2,1-2H3
InChIKeyWQOFLPOAERBPSF-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.09
Rot. Bonds5

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

N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 105379123) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID105379123
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2nc(C)ccc2c1)c1nccs1
InChIInChI=1S/C17H19N3S/c1-3-8-18-16(17-19-9-10-21-17)14-6-7-15-13(11-14)5-4-12(2)20-15/h4-7,9-11,16,18H,3,8H2,1-2H3
InChIKeyWQOFLPOAERBPSF-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114077447
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 81229898
1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81220852
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332586
3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
CID 105379697
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
2-(2-methylquinolin-6-yl)-2-(propylamino)ethanol
CID 105379248
N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
CID 81220693
3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine
CID 81220093
1-(2-methylquinolin-6-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 105379140

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (CID 105379123) is N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc2nc(C)ccc2c1)c1nccs1.
What is the InChIKey of N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is WQOFLPOAERBPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-3-8-18-16(17-19-9-10-21-17)14-6-7-15-13(11-14)5-4-12(2)20-15/h4-7,9-11,16,18H,3,8H2,1-2H3.
What are the key properties of N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 297.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105379123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).