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

C8H16N2S2 — CID 65035545

IUPAC5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCSCCNC1=NCC(C)CS1
InChIInChI=1S/C8H16N2S2/c1-7-5-10-8(12-6-7)9-3-4-11-2/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyMTBBQFLMRDYKAB-UHFFFAOYSA-N
MW204.36 g/mol
LogP1.68
Rot. Bonds3

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

5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65035545) has the molecular formula C8H16N2S2 and a molecular weight of 204.36 g/mol. Its IUPAC name is 5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65035545
Molecular FormulaC8H16N2S2
Molecular Weight204.36 g/mol
Exact Mass204.08
IUPAC Name5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCSCCNC1=NCC(C)CS1
InChIInChI=1S/C8H16N2S2/c1-7-5-10-8(12-6-7)9-3-4-11-2/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyMTBBQFLMRDYKAB-UHFFFAOYSA-N
XLogP1.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 51.68
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 5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65035545) is 5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CSCCNC1=NCC(C)CS1.
What is the InChIKey of 5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is MTBBQFLMRDYKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S2/c1-7-5-10-8(12-6-7)9-3-4-11-2/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 204.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65035545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).