N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide

C9H17N3OS — CID 65036312

IUPACN-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
SMILESCNC(=O)CCNC1=NCC(C)CS1
InChIInChI=1S/C9H17N3OS/c1-7-5-12-9(14-6-7)11-4-3-8(13)10-2/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyUNOQQOSYETVWLX-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.45
Rot. Bonds3

About N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide

N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide (PubChem CID 65036312) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
PubChem CID65036312
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
SMILESCNC(=O)CCNC1=NCC(C)CS1
InChIInChI=1S/C9H17N3OS/c1-7-5-12-9(14-6-7)11-4-3-8(13)10-2/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyUNOQQOSYETVWLX-UHFFFAOYSA-N
XLogP0.45
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
The IUPAC name of N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide (CID 65036312) is N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide.
What is the SMILES notation for N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
The canonical SMILES for N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide is CNC(=O)CCNC1=NCC(C)CS1.
What is the InChIKey of N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
The InChIKey is UNOQQOSYETVWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7-5-12-9(14-6-7)11-4-3-8(13)10-2/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide?
N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide has a molecular weight of 215.32 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide is sourced from PubChem (CID 65036312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).