1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine

C15H15N3S — CID 79235133

IUPAC1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1cc(-c2ncc(C(C)N)s2)c2ccccc2n1
InChIInChI=1S/C15H15N3S/c1-9-7-12(11-5-3-4-6-13(11)18-9)15-17-8-14(19-15)10(2)16/h3-8,10H,16H2,1-2H3
InChIKeyILYSGKUNTVLKBW-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.69
Rot. Bonds2

About 1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine

1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 79235133) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID79235133
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1cc(-c2ncc(C(C)N)s2)c2ccccc2n1
InChIInChI=1S/C15H15N3S/c1-9-7-12(11-5-3-4-6-13(11)18-9)15-17-8-14(19-15)10(2)16/h3-8,10H,16H2,1-2H3
InChIKeyILYSGKUNTVLKBW-UHFFFAOYSA-N
XLogP3.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 79235133) is 1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine is Cc1cc(-c2ncc(C(C)N)s2)c2ccccc2n1.
What is the InChIKey of 1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ILYSGKUNTVLKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-9-7-12(11-5-3-4-6-13(11)18-9)15-17-8-14(19-15)10(2)16/h3-8,10H,16H2,1-2H3.
What are the key properties of 1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79235133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).