5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine

C16H22N4S — CID 120904816

IUPAC5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCCN(Cc1cnc(N)s1)C1CCCc2cccnc21
InChIInChI=1S/C16H22N4S/c1-2-9-20(11-13-10-19-16(17)21-13)14-7-3-5-12-6-4-8-18-15(12)14/h4,6,8,10,14H,2-3,5,7,9,11H2,1H3,(H2,17,19)
InChIKeyIDFGIJOEZGDXOI-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.41
Rot. Bonds5

About 5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine

5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120904816) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID120904816
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCCN(Cc1cnc(N)s1)C1CCCc2cccnc21
InChIInChI=1S/C16H22N4S/c1-2-9-20(11-13-10-19-16(17)21-13)14-7-3-5-12-6-4-8-18-15(12)14/h4,6,8,10,14H,2-3,5,7,9,11H2,1H3,(H2,17,19)
InChIKeyIDFGIJOEZGDXOI-UHFFFAOYSA-N
XLogP3.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904819
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 120853583
5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898668
N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine
CID 68960977
(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 159311792
5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 120899012
N'-(5,6,7,8-tetrahydroquinolin-8-yl)-N'-(5,6,7,8-tetrahydroquinolin-3-ylmethyl)butane-1,4-diamine
CID 69493718
N'-[(3-chloro-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 25177627
N'-[(5-methyl-1H-imidazol-4-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 58997023
N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525997
5-[[(1,1-dioxothiolan-3-yl)-propylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897476

Frequently Asked Questions

What is the IUPAC name of 5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine (CID 120904816) is 5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine is CCCN(Cc1cnc(N)s1)C1CCCc2cccnc21.
What is the InChIKey of 5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is IDFGIJOEZGDXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-9-20(11-13-10-19-16(17)21-13)14-7-3-5-12-6-4-8-18-15(12)14/h4,6,8,10,14H,2-3,5,7,9,11H2,1H3,(H2,17,19).
What are the key properties of 5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine?
5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 302.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120904816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).