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

C16H17N3S — CID 114755452

IUPAC[4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(-c2cc(C)c3ccccc3n2)sc1CN
InChIInChI=1S/C16H17N3S/c1-3-12-15(9-17)20-16(19-12)14-8-10(2)11-6-4-5-7-13(11)18-14/h4-8H,3,9,17H2,1-2H3
InChIKeyACGOQUYMYGNKQR-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.69
Rot. Bonds3

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

[4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114755452) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is [4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114755452
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name[4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(-c2cc(C)c3ccccc3n2)sc1CN
InChIInChI=1S/C16H17N3S/c1-3-12-15(9-17)20-16(19-12)14-8-10(2)11-6-4-5-7-13(11)18-14/h4-8H,3,9,17H2,1-2H3
InChIKeyACGOQUYMYGNKQR-UHFFFAOYSA-N
XLogP3.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine (CID 114755452) is [4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine is CCc1nc(-c2cc(C)c3ccccc3n2)sc1CN.
What is the InChIKey of [4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is ACGOQUYMYGNKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-3-12-15(9-17)20-16(19-12)14-8-10(2)11-6-4-5-7-13(11)18-14/h4-8H,3,9,17H2,1-2H3.
What are the key properties of [4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 283.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114755452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).