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

C15H15N3S — CID 114755378

IUPAC1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1cc(-c2ncc(C(C)N)s2)nc2ccccc12
InChIInChI=1S/C15H15N3S/c1-9-7-13(15-17-8-14(19-15)10(2)16)18-12-6-4-3-5-11(9)12/h3-8,10H,16H2,1-2H3
InChIKeyKNNGUNZISQQCPN-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.69
Rot. Bonds2

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

1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 114755378) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID114755378
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1cc(-c2ncc(C(C)N)s2)nc2ccccc12
InChIInChI=1S/C15H15N3S/c1-9-7-13(15-17-8-14(19-15)10(2)16)18-12-6-4-3-5-11(9)12/h3-8,10H,16H2,1-2H3
InChIKeyKNNGUNZISQQCPN-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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Related Compounds

1-[2-(2-methylquinolin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 79235133
(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine
CID 103432065
1-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653902
1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine
CID 114755499
[4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114755452
(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol
CID 103431263
1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653548
2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline
CID 8966475
2-(4-methylquinolin-2-yl)benzenethiol
CID 136656831
2-(4-methylquinolin-2-yl)pyrimidin-4-amine
CID 114755416
2-(1-benzothiophen-2-yl)-4-methylquinoline
CID 71817881
4-(4-methylquinolin-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 114755549

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine (CID 114755378) is 1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine is Cc1cc(-c2ncc(C(C)N)s2)nc2ccccc12.
What is the InChIKey of 1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is KNNGUNZISQQCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-9-7-13(15-17-8-14(19-15)10(2)16)18-12-6-4-3-5-11(9)12/h3-8,10H,16H2,1-2H3.
What are the key properties of 1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(4-methylquinolin-2-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-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 114755378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).