2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide

C15H19N5OS — CID 23942179

IUPAC2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide
SMILESCCC(Sc1ncnc(N)n1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C15H19N5OS/c1-4-12(22-15-18-8-17-14(16)20-15)13(21)19-11-6-9(2)5-10(3)7-11/h5-8,12H,4H2,1-3H3,(H,19,21)(H2,16,17,18,20)
InChIKeyVIOIMVMIEUNLEZ-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.58
Rot. Bonds5

About 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide

2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide (PubChem CID 23942179) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide
PubChem CID23942179
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide
SMILESCCC(Sc1ncnc(N)n1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C15H19N5OS/c1-4-12(22-15-18-8-17-14(16)20-15)13(21)19-11-6-9(2)5-10(3)7-11/h5-8,12H,4H2,1-3H3,(H,19,21)(H2,16,17,18,20)
InChIKeyVIOIMVMIEUNLEZ-UHFFFAOYSA-N
XLogP2.58
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide 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-1,3,5-triazin-2-yl)sulfanyl]-N-(4-iodophenyl)butanamide
CID 21232397
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide
CID 23858334
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylquinolin-4-yl)butanamide
CID 23886100
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylbutanamide
CID 41176312
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 23742880
N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302166
N-(3,5-dichlorophenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304688
ethyl 4-amino-2-[(2S)-1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 92742761
(2S)-N-(4-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
CID 7345794
N-(3-chloro-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
CID 21233629
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)butanamide
CID 23858516
ethyl 4-amino-2-[(2R)-1-anilino-1-oxobutan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 7346109

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide?
The IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide (CID 23942179) is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide.
What is the SMILES notation for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide?
The canonical SMILES for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide is CCC(Sc1ncnc(N)n1)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide?
The InChIKey is VIOIMVMIEUNLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-4-12(22-15-18-8-17-14(16)20-15)13(21)19-11-6-9(2)5-10(3)7-11/h5-8,12H,4H2,1-3H3,(H,19,21)(H2,16,17,18,20).
What are the key properties of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide?
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide has a molecular weight of 317.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide is sourced from PubChem (CID 23942179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).