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

C12H16N2S2 — CID 4855555

IUPACN-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESc1ccc(SCCNC2=NCCCS2)cc1
InChIInChI=1S/C12H16N2S2/c1-2-5-11(6-3-1)15-10-8-14-12-13-7-4-9-16-12/h1-3,5-6H,4,7-10H2,(H,13,14)
InChIKeyMJTDSURAEXIJDL-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.86
Rot. Bonds4

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

N-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 4855555) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID4855555
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESc1ccc(SCCNC2=NCCCS2)cc1
InChIInChI=1S/C12H16N2S2/c1-2-5-11(6-3-1)15-10-8-14-12-13-7-4-9-16-12/h1-3,5-6H,4,7-10H2,(H,13,14)
InChIKeyMJTDSURAEXIJDL-UHFFFAOYSA-N
XLogP2.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.86
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

2-Phenylthiomethyl-2-imidazoline
CID 21608213
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
CID 977158
Guanidine, (2-(phenylthio)ethyl)-
CID 39442
1-[3-(4-Fluorophenyl)sulfanylpropyl]-2,3-dimethylguanidine
CID 110913654
N-[3-(4-fluorophenyl)sulfanylpropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110913656
1,3-Diethyl-2-[3-(4-fluorophenyl)sulfanylpropyl]guanidine
CID 110924750
1-[3-(4-Fluorophenyl)sulfanylpropyl]-2-methyl-3-prop-2-enylguanidine
CID 110981235
1-Butyl-2-[3-(4-fluorophenyl)sulfanylpropyl]guanidine
CID 111027846
1-[3-(4-Fluorophenyl)sulfanylpropyl]-2-propylguanidine
CID 111027852
1-[3-(4-Fluorophenyl)sulfanylpropyl]-2-(2-methylpropyl)guanidine
CID 111027854
2-[3-(4-Fluorophenyl)sulfanylpropyl]-1-propan-2-ylguanidine
CID 111027860
1-[2-(4-Fluorophenyl)sulfanylethyl]-2,3-dimethylguanidine
CID 111122337

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 4855555) is N-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is c1ccc(SCCNC2=NCCCS2)cc1.
What is the InChIKey of N-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is MJTDSURAEXIJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-2-5-11(6-3-1)15-10-8-14-12-13-7-4-9-16-12/h1-3,5-6H,4,7-10H2,(H,13,14).
What are the key properties of N-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 252.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 4855555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).