(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide

C13H13F3N6OS — CID 8985827

IUPAC(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N6OS/c1-6(24-12-21-10(17)20-11(18)22-12)9(23)19-8-5-3-2-4-7(8)13(14,15)16/h2-6H,1H3,(H,19,23)(H4,17,18,20,21,22)/t6-/m0/s1
InChIKeyNYMVZHDJAAEZNO-LURJTMIESA-N
MW358.35 g/mol
LogP2.17
Rot. Bonds4

About (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide

(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 8985827) has the molecular formula C13H13F3N6OS and a molecular weight of 358.35 g/mol. Its IUPAC name is (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID8985827
Molecular FormulaC13H13F3N6OS
Molecular Weight358.35 g/mol
Exact Mass358.08
IUPAC Name(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N6OS/c1-6(24-12-21-10(17)20-11(18)22-12)9(23)19-8-5-3-2-4-7(8)13(14,15)16/h2-6H,1H3,(H,19,23)(H4,17,18,20,21,22)/t6-/m0/s1
InChIKeyNYMVZHDJAAEZNO-LURJTMIESA-N
XLogP2.17
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]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-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 17400774
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 41037714
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 112777638
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 8985889
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46772610
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,4-difluorophenyl)propanamide
CID 8985865
(2R)-N-(4-chloro-2-fluorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 8985849
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42353218
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8936507
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7743440
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide
CID 8985929

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 8985827) is (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide is C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is NYMVZHDJAAEZNO-LURJTMIESA-N. The full InChI is InChI=1S/C13H13F3N6OS/c1-6(24-12-21-10(17)20-11(18)22-12)9(23)19-8-5-3-2-4-7(8)13(14,15)16/h2-6H,1H3,(H,19,23)(H4,17,18,20,21,22)/t6-/m0/s1.
What are the key properties of (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide?
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 358.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 8985827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).