2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine

C16H18N4S — CID 115485916

IUPAC2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine
SMILESCc1csc(C(C)NCc2cc(N)c3ccccc3n2)n1
InChIInChI=1S/C16H18N4S/c1-10-9-21-16(19-10)11(2)18-8-12-7-14(17)13-5-3-4-6-15(13)20-12/h3-7,9,11,18H,8H2,1-2H3,(H2,17,20)
InChIKeyJKFOCKRJFREXNA-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.43
Rot. Bonds4

About 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine

2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine (PubChem CID 115485916) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine
PubChem CID115485916
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine
SMILESCc1csc(C(C)NCc2cc(N)c3ccccc3n2)n1
InChIInChI=1S/C16H18N4S/c1-10-9-21-16(19-10)11(2)18-8-12-7-14(17)13-5-3-4-6-15(13)20-12/h3-7,9,11,18H,8H2,1-2H3,(H2,17,20)
InChIKeyJKFOCKRJFREXNA-UHFFFAOYSA-N
XLogP3.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine
CID 66386414
N-[(1-methylindazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091933
2-[(heptan-2-ylamino)methyl]quinolin-4-amine
CID 115485806
2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine
CID 115485809
1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63089651
N-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096277
2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine
CID 115485883
1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63095222
N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115693156
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096278
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79427265
(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398233

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine?
The IUPAC name of 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine (CID 115485916) is 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine.
What is the SMILES notation for 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine?
The canonical SMILES for 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine is Cc1csc(C(C)NCc2cc(N)c3ccccc3n2)n1.
What is the InChIKey of 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine?
The InChIKey is JKFOCKRJFREXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-10-9-21-16(19-10)11(2)18-8-12-7-14(17)13-5-3-4-6-15(13)20-12/h3-7,9,11,18H,8H2,1-2H3,(H2,17,20).
What are the key properties of 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine?
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine has a molecular weight of 298.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine is sourced from PubChem (CID 115485916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).