N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C10H20N2OS — CID 65035873

IUPACN-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOCCCNC1=NCC(C)CS1
InChIInChI=1S/C10H20N2OS/c1-3-13-6-4-5-11-10-12-7-9(2)8-14-10/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyNSDHBQLYIHAWNG-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.74
Rot. Bonds5

About N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65035873) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65035873
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOCCCNC1=NCC(C)CS1
InChIInChI=1S/C10H20N2OS/c1-3-13-6-4-5-11-10-12-7-9(2)8-14-10/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyNSDHBQLYIHAWNG-UHFFFAOYSA-N
XLogP1.74
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.74
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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Related Compounds

N-(2-methoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102699426
5-methyl-N-(thiolan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107297184
N-(1-methoxybutan-2-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65034895
N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106049510
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105419370
5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 82943455
5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106420090
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106375333
4-chloro-N-(3-ethoxypropyl)-1,2,5-thiadiazol-3-amine
CID 43808242
N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43591372
N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine
CID 106581840
N-(2,4-dimethylcyclohexyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035600

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65035873) is N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCOCCCNC1=NCC(C)CS1.
What is the InChIKey of N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is NSDHBQLYIHAWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-13-6-4-5-11-10-12-7-9(2)8-14-10/h9H,3-8H2,1-2H3,(H,11,12).
What are the key properties of N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 216.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65035873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).