N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H19FN2S — CID 113376397

IUPACN-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(C)SC(NC(C)c2cccc(F)c2)=N1
InChIInChI=1S/C14H19FN2S/c1-9-7-10(2)18-14(16-9)17-11(3)12-5-4-6-13(15)8-12/h4-6,8-11H,7H2,1-3H3,(H,16,17)
InChIKeySGHVVAAEXUMIKJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.75
Rot. Bonds2

About N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 113376397) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID113376397
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(C)SC(NC(C)c2cccc(F)c2)=N1
InChIInChI=1S/C14H19FN2S/c1-9-7-10(2)18-14(16-9)17-11(3)12-5-4-6-13(15)8-12/h4-6,8-11H,7H2,1-3H3,(H,16,17)
InChIKeySGHVVAAEXUMIKJ-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113496011
(6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81300912
N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 104829033
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43682980
N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79508036
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113376366
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 113376397) is N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CC(C)SC(NC(C)c2cccc(F)c2)=N1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is SGHVVAAEXUMIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-9-7-10(2)18-14(16-9)17-11(3)12-5-4-6-13(15)8-12/h4-6,8-11H,7H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 266.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 113376397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).