1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride

C20H24ClN2OS- — CID 5351142

IUPAC1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride
SMILESCCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12.[Cl-]
InChIInChI=1S/C20H24N2OS.ClH/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;/h6-11,21H,4-5,12-13H2,1-3H3;1H/p-1
InChIKeyLAOOXBLMIJHMFO-UHFFFAOYSA-M
MW375.95 g/mol
LogP1.48
Rot. Bonds6

About 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride

1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride (PubChem CID 5351142) has the molecular formula C20H24ClN2OS- and a molecular weight of 375.95 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride
PubChem CID5351142
Molecular FormulaC20H24ClN2OS-
Molecular Weight375.95 g/mol
Exact Mass375.13
IUPAC Name1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride
SMILESCCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12.[Cl-]
InChIInChI=1S/C20H24N2OS.ClH/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;/h6-11,21H,4-5,12-13H2,1-3H3;1H/p-1
InChIKeyLAOOXBLMIJHMFO-UHFFFAOYSA-M
XLogP1.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.95
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride 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

1-[2-[ethyl-(2-hydroxy-2-methoxypropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride
CID 23618429
1-[2-[ethyl(2-hydroxypropan-2-yl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride
CID 11954300
N-[[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl](113C)methyl]methane(15N)sulfonamide
CID 10342947
1-[2-[butyl(2-hydroxypropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride
CID 54601123
1-[1-(diethylamino)propan-2-ylamino]-4-methylthioxanthen-9-one;hydrochloride
CID 21144191
N-[[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl]-2-methoxybenzenesulfonamide
CID 22915332
[benzenesulfonyl-[2-[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]ethyl]amino] methanesulfonate
CID 56988541
6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-c]pyridin-10-one;ethane
CID 142807817
1-[2-[2-[[7-ethyl-6-[(1S)-2-methylcyclopropyl]quinolin-4-yl]amino]ethyl-methylamino]ethylamino]-4-methylthioxanthen-9-one
CID 152968434
6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one
CID 59114351
N-[[1-[2-(dimethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl]-N-methylformamide
CID 22915330
N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide
CID 59114371

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride (CID 5351142) is 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride is CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12.[Cl-].
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride?
The InChIKey is LAOOXBLMIJHMFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H24N2OS.ClH/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;/h6-11,21H,4-5,12-13H2,1-3H3;1H/p-1.
What are the key properties of 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride?
1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride has a molecular weight of 375.95 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride is sourced from PubChem (CID 5351142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).