2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

C20H19Cl2FN6OS — CID 17401469

IUPAC2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CSCc1nc(N)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19Cl2FN6OS/c1-29(9-14-15(22)3-2-4-16(14)23)18(30)11-31-10-17-26-19(24)28-20(27-17)25-13-7-5-12(21)6-8-13/h2-8H,9-11H2,1H3,(H3,24,25,26,27,28)
InChIKeyXKTDSWCDIWVTTP-UHFFFAOYSA-N
MW481.38 g/mol
LogP4.54
Rot. Bonds8

About 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 17401469) has the molecular formula C20H19Cl2FN6OS and a molecular weight of 481.38 g/mol. Its IUPAC name is 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
PubChem CID17401469
Molecular FormulaC20H19Cl2FN6OS
Molecular Weight481.38 g/mol
Exact Mass480.07
IUPAC Name2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CSCc1nc(N)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19Cl2FN6OS/c1-29(9-14-15(22)3-2-4-16(14)23)18(30)11-31-10-17-26-19(24)28-20(27-17)25-13-7-5-12(21)6-8-13/h2-8H,9-11H2,1H3,(H3,24,25,26,27,28)
InChIKeyXKTDSWCDIWVTTP-UHFFFAOYSA-N
XLogP4.54
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide 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-((4-amino-6-(o-tolylamino)-1,3,5-triazin-2-yl)methylthio)-N-o-tolylacetamide
CID 2079368
2-{[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]thio}-N-(3,4-dichlorophenyl)acetamide
CID 2215367
2-((4-amino-6-(p-tolylamino)-1,3,5-triazin-2-yl)methylthio)-N-(2-chlorobenzyl)propanamide
CID 17523423
2-N-(4-chlorophenyl)-6-[[(3-fluorophenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 35953355
1-(4-Chlorophenyl)-3-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]urea
CID 4407052
2-[4-[benzyl-[2-(dimethylamino)ethyl]amino]-6-chloropyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 4994744
2-[4-[benzyl-[2-(dimethylamino)ethyl]amino]-6-chloropyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 5027597
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8194480
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2-fluorophenyl)acetamide
CID 8194497
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 8194514
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 8194515
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 8194519

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (CID 17401469) is 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1c(F)cccc1Cl)C(=O)CSCc1nc(N)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is XKTDSWCDIWVTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN6OS/c1-29(9-14-15(22)3-2-4-16(14)23)18(30)11-31-10-17-26-19(24)28-20(27-17)25-13-7-5-12(21)6-8-13/h2-8H,9-11H2,1H3,(H3,24,25,26,27,28).
What are the key properties of 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 481.38 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 17401469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).