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

C15H20N2O2S — CID 106913129

IUPACN-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(C)SC(Nc2ccc(C3OCCO3)cc2)=N1
InChIInChI=1S/C15H20N2O2S/c1-10-9-11(2)20-15(16-10)17-13-5-3-12(4-6-13)14-18-7-8-19-14/h3-6,10-11,14H,7-9H2,1-2H3,(H,16,17)
InChIKeyQZQIDKSXABEIMS-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.41
Rot. Bonds2

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

N-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106913129) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106913129
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(C)SC(Nc2ccc(C3OCCO3)cc2)=N1
InChIInChI=1S/C15H20N2O2S/c1-10-9-11(2)20-15(16-10)17-13-5-3-12(4-6-13)14-18-7-8-19-14/h3-6,10-11,14H,7-9H2,1-2H3,(H,16,17)
InChIKeyQZQIDKSXABEIMS-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

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

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Related Compounds

(3aS,6S,7S,7aS)-2-(4-methylanilino)-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-pyrano[3,4-d][1,3]thiazol-7-ol
CID 12013849
4-ethyl-N-[3-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 54965184
4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 54965186
N-[2-(methoxymethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61504225
N-[3-(methoxymethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61504660
N-[3-(methoxymethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61504734
N-[3-(methoxymethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61504735
N-[2-(methoxymethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61504765
N-[2-(methoxymethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61504804
(4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246382
(4S)-N-[2-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246486
N-[3-(methoxymethyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187948

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106913129) is N-[4-(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-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CC(C)SC(Nc2ccc(C3OCCO3)cc2)=N1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is QZQIDKSXABEIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-9-11(2)20-15(16-10)17-13-5-3-12(4-6-13)14-18-7-8-19-14/h3-6,10-11,14H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[4-(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-[4-(1,3-dioxolan-2-yl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106913129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).