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

C12H16N2S — CID 28878465

IUPACN-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCc1cccc(NC2=NCCCS2)c1
InChIInChI=1S/C12H16N2S/c1-2-10-5-3-6-11(9-10)14-12-13-7-4-8-15-12/h3,5-6,9H,2,4,7-8H2,1H3,(H,13,14)
InChIKeyRAFHAUVZAMABEE-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.15
Rot. Bonds2

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

N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 28878465) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID28878465
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCc1cccc(NC2=NCCCS2)c1
InChIInChI=1S/C12H16N2S/c1-2-10-5-3-6-11(9-10)14-12-13-7-4-8-15-12/h3,5-6,9H,2,4,7-8H2,1H3,(H,13,14)
InChIKeyRAFHAUVZAMABEE-UHFFFAOYSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187098
N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 29068137
4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261096
N-(3-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385646
N-(3-methylsulfanylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068066
N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 14391638
3-(4,5-dihydro-1,3-thiazol-2-ylamino)benzonitrile
CID 29068246
2,6-diethyl-N-(3-ethylphenyl)aniline
CID 139833761
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776
N-(3-ethylphenyl)-1-methylimidazol-2-amine
CID 106559848
3-bromo-N-(3-ethylphenyl)pyridin-2-amine
CID 63463490

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 28878465) is N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCc1cccc(NC2=NCCCS2)c1.
What is the InChIKey of N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RAFHAUVZAMABEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-10-5-3-6-11(9-10)14-12-13-7-4-8-15-12/h3,5-6,9H,2,4,7-8H2,1H3,(H,13,14).
What are the key properties of N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 28878465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).