(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide

C16H16FN5OS — CID 41352361

IUPAC(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
SMILESC[C@H](Sc1nc2ncccn2n1)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H16FN5OS/c1-11(24-16-19-15-18-7-4-8-22(15)20-16)14(23)21(2)10-12-5-3-6-13(17)9-12/h3-9,11H,10H2,1-2H3/t11-/m0/s1
InChIKeyFDZXASXZVJKLTF-NSHDSACASA-N
MW345.40 g/mol
LogP2.40
Rot. Bonds5

About (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide

(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide (PubChem CID 41352361) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
PubChem CID41352361
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC Name(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
SMILESC[C@H](Sc1nc2ncccn2n1)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H16FN5OS/c1-11(24-16-19-15-18-7-4-8-22(15)20-16)14(23)21(2)10-12-5-3-6-13(17)9-12/h3-9,11H,10H2,1-2H3/t11-/m0/s1
InChIKeyFDZXASXZVJKLTF-NSHDSACASA-N
XLogP2.40
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)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

N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 42886860
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8569133
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 24600108
(2R)-1-(4-tert-butylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41351728
N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide
CID 51294386
(2S)-N-[(3-fluorophenyl)methyl]-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide
CID 8522199
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 8522992
N,N-dimethyl-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 42895535
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 46814265
(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8521331
methyl 2-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]sulfanylpropanoate
CID 78842851

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The IUPAC name of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide (CID 41352361) is (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The canonical SMILES for (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide is C[C@H](Sc1nc2ncccn2n1)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The InChIKey is FDZXASXZVJKLTF-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-11(24-16-19-15-18-7-4-8-22(15)20-16)14(23)21(2)10-12-5-3-6-13(17)9-12/h3-9,11H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide is sourced from PubChem (CID 41352361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).