2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide

C20H20Cl2N6OS — CID 16576571

IUPAC2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide
SMILESCC(SC(C)c1nc(N)nc(Nc2ccccc2)n1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H20Cl2N6OS/c1-11(30-12(2)18(29)25-16-14(21)9-6-10-15(16)22)17-26-19(23)28-20(27-17)24-13-7-4-3-5-8-13/h3-12H,1-2H3,(H,25,29)(H3,23,24,26,27,28)
InChIKeyHXILLBWIQBFWBL-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.33
Rot. Bonds7

About 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide

2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 16576571) has the molecular formula C20H20Cl2N6OS and a molecular weight of 463.39 g/mol. Its IUPAC name is 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide
PubChem CID16576571
Molecular FormulaC20H20Cl2N6OS
Molecular Weight463.39 g/mol
Exact Mass462.08
IUPAC Name2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide
SMILESCC(SC(C)c1nc(N)nc(Nc2ccccc2)n1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H20Cl2N6OS/c1-11(30-12(2)18(29)25-16-14(21)9-6-10-15(16)22)17-26-19(23)28-20(27-17)24-13-7-4-3-5-8-13/h3-12H,1-2H3,(H,25,29)(H3,23,24,26,27,28)
InChIKeyHXILLBWIQBFWBL-UHFFFAOYSA-N
XLogP5.33
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide 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

2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-difluorophenyl)propanamide
CID 55466217
2-[(1R)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 41259748
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2-chlorophenyl)propanamide
CID 55436713
N-[3-[3-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 55568393
6-[(1S)-1-[(6-chloro-3-pyridinyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 98677477
2-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25337628
(2S)-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-bromophenyl)propanamide
CID 26634453
2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide
CID 55506651
6-[(1S)-1-(3-phenoxypropylsulfanyl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 41016265
N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 78656452
N-(1-adamantyl)-2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]acetamide
CID 42926588
6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 24561080

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide (CID 16576571) is 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide is CC(SC(C)c1nc(N)nc(Nc2ccccc2)n1)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is HXILLBWIQBFWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N6OS/c1-11(30-12(2)18(29)25-16-14(21)9-6-10-15(16)22)17-26-19(23)28-20(27-17)24-13-7-4-3-5-8-13/h3-12H,1-2H3,(H,25,29)(H3,23,24,26,27,28).
What are the key properties of 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide?
2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 463.39 g/mol, XLogP of 5.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 16576571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).