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

C15H15N3S — CID 105159187

IUPAC1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine
SMILESCc1ncsc1C(N)Cc1ccc2ccccc2n1
InChIInChI=1S/C15H15N3S/c1-10-15(19-9-17-10)13(16)8-12-7-6-11-4-2-3-5-14(11)18-12/h2-7,9,13H,8,16H2,1H3
InChIKeyXJBLAHZUUVZFNK-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.24
Rot. Bonds3

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

1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine (PubChem CID 105159187) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine
PubChem CID105159187
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine
SMILESCc1ncsc1C(N)Cc1ccc2ccccc2n1
InChIInChI=1S/C15H15N3S/c1-10-15(19-9-17-10)13(16)8-12-7-6-11-4-2-3-5-14(11)18-12/h2-7,9,13H,8,16H2,1H3
InChIKeyXJBLAHZUUVZFNK-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 1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine (CID 105159187) is 1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine is Cc1ncsc1C(N)Cc1ccc2ccccc2n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine?
The InChIKey is XJBLAHZUUVZFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-15(19-9-17-10)13(16)8-12-7-6-11-4-2-3-5-14(11)18-12/h2-7,9,13H,8,16H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine?
1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-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 1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine is sourced from PubChem (CID 105159187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).