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

C15H22N2O2S — CID 83186568

IUPACN-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOc1ccc(NC2=NC(C)CCS2)cc1OCC
InChIInChI=1S/C15H22N2O2S/c1-4-18-13-7-6-12(10-14(13)19-5-2)17-15-16-11(3)8-9-20-15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyWWYBLKSZZVHYNZ-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.78
Rot. Bonds5

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

N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 83186568) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID83186568
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOc1ccc(NC2=NC(C)CCS2)cc1OCC
InChIInChI=1S/C15H22N2O2S/c1-4-18-13-7-6-12(10-14(13)19-5-2)17-15-16-11(3)8-9-20-15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyWWYBLKSZZVHYNZ-UHFFFAOYSA-N
XLogP3.78
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188198
N-(4-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187370
N-(1-benzothiophen-5-yl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187964
4-methyl-N-quinolin-6-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188493
4-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83179344
N-(4-ethoxy-3-fluorophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363601
5-bromo-N-(3,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 64624289
5-N-(3,4-diethoxyphenyl)pyridine-3,5-diamine
CID 104532247
3-methoxy-4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 104849659
4-ethyl-N-(3-ethyl-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114250424
4-methyl-N-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187369
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 103193509

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 83186568) is N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCOc1ccc(NC2=NC(C)CCS2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is WWYBLKSZZVHYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-18-13-7-6-12(10-14(13)19-5-2)17-15-16-11(3)8-9-20-15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 294.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 83186568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).