2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine

C15H15N3S — CID 81231313

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine
SMILESCc1csc(CC(N)c2cccc3ncccc23)n1
InChIInChI=1S/C15H15N3S/c1-10-9-19-15(18-10)8-13(16)11-4-2-6-14-12(11)5-3-7-17-14/h2-7,9,13H,8,16H2,1H3
InChIKeyLOPYTOZDMWZGMA-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine

2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine (PubChem CID 81231313) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine
PubChem CID81231313
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine
SMILESCc1csc(CC(N)c2cccc3ncccc23)n1
InChIInChI=1S/C15H15N3S/c1-10-9-19-15(18-10)8-13(16)11-4-2-6-14-12(11)5-3-7-17-14/h2-7,9,13H,8,16H2,1H3
InChIKeyLOPYTOZDMWZGMA-UHFFFAOYSA-N
XLogP3.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine (CID 81231313) is 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine is Cc1csc(CC(N)c2cccc3ncccc23)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine?
The InChIKey is LOPYTOZDMWZGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-9-19-15(18-10)8-13(16)11-4-2-6-14-12(11)5-3-7-17-14/h2-7,9,13H,8,16H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine?
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine is sourced from PubChem (CID 81231313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).