4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine

C13H18N2S — CID 106164620

IUPAC4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2ccccc2)=N1
InChIInChI=1S/C13H18N2S/c1-3-13(2)9-10-16-12(15-13)14-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,15)
InChIKeyLVFCEKFENYDJGJ-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.76
Rot. Bonds2

About 4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine

4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106164620) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID106164620
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2ccccc2)=N1
InChIInChI=1S/C13H18N2S/c1-3-13(2)9-10-16-12(15-13)14-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,15)
InChIKeyLVFCEKFENYDJGJ-UHFFFAOYSA-N
XLogP3.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165018
2-[4-[(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)amino]phenyl]acetonitrile
CID 106165920
N-(3,5-dichloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166821
N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165502
4-ethyl-4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
CID 106165741
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164830
N-[2-(difluoromethoxy)phenyl]-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165206
4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine
CID 64556048
N-(2,5-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164877
N-(2,5-dichlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164707
4-ethyl-4-methyl-N-quinolin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164859
4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165078

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine (CID 106164620) is 4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine is CCC1(C)CCSC(Nc2ccccc2)=N1.
What is the InChIKey of 4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is LVFCEKFENYDJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-3-13(2)9-10-16-12(15-13)14-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine?
4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 234.37 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106164620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).