N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine

C15H19N3S — CID 80649711

IUPACN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESc1cc2c(c(CNCCc3nccs3)c1)NCCC2
InChIInChI=1S/C15H19N3S/c1-3-12-5-2-7-18-15(12)13(4-1)11-16-8-6-14-17-9-10-19-14/h1,3-4,9-10,16,18H,2,5-8,11H2
InChIKeyQRAADRUNTOXRFA-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.83
Rot. Bonds5

About N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine

N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 80649711) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID80649711
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESc1cc2c(c(CNCCc3nccs3)c1)NCCC2
InChIInChI=1S/C15H19N3S/c1-3-12-5-2-7-18-15(12)13(4-1)11-16-8-6-14-17-9-10-19-14/h1,3-4,9-10,16,18H,2,5-8,11H2
InChIKeyQRAADRUNTOXRFA-UHFFFAOYSA-N
XLogP2.83
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylimidazol-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648410
2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 106169188
2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648824
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine
CID 125424059
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80649190
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
3-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2-diol
CID 63242570
3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648840

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 80649711) is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine is c1cc2c(c(CNCCc3nccs3)c1)NCCC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is QRAADRUNTOXRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-12-5-2-7-18-15(12)13(4-1)11-16-8-6-14-17-9-10-19-14/h1,3-4,9-10,16,18H,2,5-8,11H2.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine?
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 273.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 80649711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).