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

C14H17N5OS — CID 23858334

IUPAC2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide
SMILESCCC(Sc1ncnc(N)n1)C(=O)Nc1ccccc1C
InChIInChI=1S/C14H17N5OS/c1-3-11(21-14-17-8-16-13(15)19-14)12(20)18-10-7-5-4-6-9(10)2/h4-8,11H,3H2,1-2H3,(H,18,20)(H2,15,16,17,19)
InChIKeyLZQVNUSRFRQYIV-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.27
Rot. Bonds5

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

2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide (PubChem CID 23858334) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide
PubChem CID23858334
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide
SMILESCCC(Sc1ncnc(N)n1)C(=O)Nc1ccccc1C
InChIInChI=1S/C14H17N5OS/c1-3-11(21-14-17-8-16-13(15)19-14)12(20)18-10-7-5-4-6-9(10)2/h4-8,11H,3H2,1-2H3,(H,18,20)(H2,15,16,17,19)
InChIKeyLZQVNUSRFRQYIV-UHFFFAOYSA-N
XLogP2.27
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylquinolin-4-yl)butanamide
CID 23886100
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide
CID 23942179
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-iodophenyl)butanamide
CID 21232397
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylbutanamide
CID 41176312
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)butanamide
CID 23858516
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide
CID 46304677
N-(2,3-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46304908
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 23742880
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide
CID 71669882
N-(2-methylphenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46305121
ethyl 4-amino-2-[1-(2-methoxyanilino)-1-oxobutan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 50758202
N-(3-chloro-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide
CID 21232483

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide?
The IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide (CID 23858334) is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide.
What is the SMILES notation for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide?
The canonical SMILES for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide is CCC(Sc1ncnc(N)n1)C(=O)Nc1ccccc1C.
What is the InChIKey of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide?
The InChIKey is LZQVNUSRFRQYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-3-11(21-14-17-8-16-13(15)19-14)12(20)18-10-7-5-4-6-9(10)2/h4-8,11H,3H2,1-2H3,(H,18,20)(H2,15,16,17,19).
What are the key properties of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide?
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide has a molecular weight of 303.39 g/mol, XLogP of 2.27, 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-(2-methylphenyl)butanamide is sourced from PubChem (CID 23858334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).