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

C17H25ClN4S — CID 120904819

IUPAC5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)CN(Cc1cnc(N)s1)C1CCCc2cccnc21.Cl
InChIInChI=1S/C17H24N4S.ClH/c1-12(2)10-21(11-14-9-20-17(18)22-14)15-7-3-5-13-6-4-8-19-16(13)15;/h4,6,8-9,12,15H,3,5,7,10-11H2,1-2H3,(H2,18,20);1H
InChIKeyDUVKJIXHZVYLIY-UHFFFAOYSA-N
MW352.94 g/mol
LogP4.08
Rot. Bonds5

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

5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120904819) has the molecular formula C17H25ClN4S and a molecular weight of 352.94 g/mol. Its IUPAC name is 5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120904819
Molecular FormulaC17H25ClN4S
Molecular Weight352.94 g/mol
Exact Mass352.15
IUPAC Name5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)CN(Cc1cnc(N)s1)C1CCCc2cccnc21.Cl
InChIInChI=1S/C17H24N4S.ClH/c1-12(2)10-21(11-14-9-20-17(18)22-14)15-7-3-5-13-6-4-8-19-16(13)15;/h4,6,8-9,12,15H,3,5,7,10-11H2,1-2H3,(H2,18,20);1H
InChIKeyDUVKJIXHZVYLIY-UHFFFAOYSA-N
XLogP4.08
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.94
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120904816
N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 120853623
N-(2-methylpropyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 146138623
4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide
CID 100652315
5-[[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898668
(8S)-N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 69248604
N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525976
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride
CID 120902091
(8S)-N-methyl-N-[[3-[[methyl(2-methylpropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 24829991
5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide
CID 126817414
N'-[(3-chloro-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 25177627

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120904819) is 5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C)CN(Cc1cnc(N)s1)C1CCCc2cccnc21.Cl.
What is the InChIKey of 5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is DUVKJIXHZVYLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S.ClH/c1-12(2)10-21(11-14-9-20-17(18)22-14)15-7-3-5-13-6-4-8-19-16(13)15;/h4,6,8-9,12,15H,3,5,7,10-11H2,1-2H3,(H2,18,20);1H.
What are the key properties of 5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 352.94 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120904819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).