N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine

C15H23N3S — CID 29068172

IUPACN'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1=NCCCS1)Cc1ccccc1
InChIInChI=1S/C15H23N3S/c1-18(13-14-7-3-2-4-8-14)11-5-9-16-15-17-10-6-12-19-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,16,17)
InChIKeyBBXOCEOZUZFJHE-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.59
Rot. Bonds6

About N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine

N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine (PubChem CID 29068172) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine
PubChem CID29068172
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1=NCCCS1)Cc1ccccc1
InChIInChI=1S/C15H23N3S/c1-18(13-14-7-3-2-4-8-14)11-5-9-16-15-17-10-6-12-19-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,16,17)
InChIKeyBBXOCEOZUZFJHE-UHFFFAOYSA-N
XLogP2.59
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine (CID 29068172) is N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine is CN(CCCNC1=NCCCS1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is BBXOCEOZUZFJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-18(13-14-7-3-2-4-8-14)11-5-9-16-15-17-10-6-12-19-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,16,17).
What are the key properties of N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine?
N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 277.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 29068172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).