4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

C14H19FN2S — CID 106165078

IUPAC4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2cc(F)ccc2C)=N1
InChIInChI=1S/C14H19FN2S/c1-4-14(3)7-8-18-13(17-14)16-12-9-11(15)6-5-10(12)2/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyPPUIZLNUFVNFAR-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.21
Rot. Bonds2

About 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine

4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106165078) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID106165078
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(C)CCSC(Nc2cc(F)ccc2C)=N1
InChIInChI=1S/C14H19FN2S/c1-4-14(3)7-8-18-13(17-14)16-12-9-11(15)6-5-10(12)2/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyPPUIZLNUFVNFAR-UHFFFAOYSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164877
N-(2,5-difluoro-4-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166788
N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439978
N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 114152526
4-ethyl-4-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
CID 106165741
N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550272
N-(2,5-dichlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164707
N-(4-chloro-2-iodophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166842
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
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164957
N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165018

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (CID 106165078) is 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is CCC1(C)CCSC(Nc2cc(F)ccc2C)=N1.
What is the InChIKey of 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is PPUIZLNUFVNFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-4-14(3)7-8-18-13(17-14)16-12-9-11(15)6-5-10(12)2/h5-6,9H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine?
4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 266.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106165078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).