N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide

C15H17N3OS — CID 59250263

IUPACN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide
SMILESCC#CC(=O)Nc1cccc([C@]2(C)CCSC(N)=N2)c1
InChIInChI=1S/C15H17N3OS/c1-3-5-13(19)17-12-7-4-6-11(10-12)15(2)8-9-20-14(16)18-15/h4,6-7,10H,8-9H2,1-2H3,(H2,16,18)(H,17,19)/t15-/m0/s1
InChIKeyUHIXWFSSYYDGOE-HNNXBMFYSA-N
MW287.39 g/mol
LogP2.32
Rot. Bonds2

About N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide (PubChem CID 59250263) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide
PubChem CID59250263
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide
SMILESCC#CC(=O)Nc1cccc([C@]2(C)CCSC(N)=N2)c1
InChIInChI=1S/C15H17N3OS/c1-3-5-13(19)17-12-7-4-6-11(10-12)15(2)8-9-20-14(16)18-15/h4,6-7,10H,8-9H2,1-2H3,(H2,16,18)(H,17,19)/t15-/m0/s1
InChIKeyUHIXWFSSYYDGOE-HNNXBMFYSA-N
XLogP2.32
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide?
The IUPAC name of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide (CID 59250263) is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide?
The canonical SMILES for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide is CC#CC(=O)Nc1cccc([C@]2(C)CCSC(N)=N2)c1.
What is the InChIKey of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide?
The InChIKey is UHIXWFSSYYDGOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-5-13(19)17-12-7-4-6-11(10-12)15(2)8-9-20-14(16)18-15/h4,6-7,10H,8-9H2,1-2H3,(H2,16,18)(H,17,19)/t15-/m0/s1.
What are the key properties of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide?
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide has a molecular weight of 287.39 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]but-2-ynamide is sourced from PubChem (CID 59250263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).