N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C15H20N2O2S — CID 106913149

IUPACN-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(C)SC(Nc2cccc(C3OCCO3)c2)=N1
InChIInChI=1S/C15H20N2O2S/c1-10-8-11(2)20-15(16-10)17-13-5-3-4-12(9-13)14-18-6-7-19-14/h3-5,9-11,14H,6-8H2,1-2H3,(H,16,17)
InChIKeyZJVBXUIGVFCOAT-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.41
Rot. Bonds2

About N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106913149) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106913149
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(C)SC(Nc2cccc(C3OCCO3)c2)=N1
InChIInChI=1S/C15H20N2O2S/c1-10-8-11(2)20-15(16-10)17-13-5-3-4-12(9-13)14-18-6-7-19-14/h3-5,9-11,14H,6-8H2,1-2H3,(H,16,17)
InChIKeyZJVBXUIGVFCOAT-UHFFFAOYSA-N
XLogP3.41
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106913149) is N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CC(C)SC(Nc2cccc(C3OCCO3)c2)=N1.
What is the InChIKey of N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ZJVBXUIGVFCOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-8-11(2)20-15(16-10)17-13-5-3-4-12(9-13)14-18-6-7-19-14/h3-5,9-11,14H,6-8H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 292.40 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106913149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).