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

C14H19FN2S — CID 113496011

IUPAC4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(NC(C)c2cccc(F)c2)=N1
InChIInChI=1S/C14H19FN2S/c1-3-13-7-8-18-14(17-13)16-10(2)11-5-4-6-12(15)9-11/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyLNINXZMCBHBDRD-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.75
Rot. Bonds3

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

4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 113496011) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID113496011
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(NC(C)c2cccc(F)c2)=N1
InChIInChI=1S/C14H19FN2S/c1-3-13-7-8-18-14(17-13)16-10(2)11-5-4-6-12(15)9-11/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyLNINXZMCBHBDRD-UHFFFAOYSA-N
XLogP3.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113376397
N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351572
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918
N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113495956
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 103780486
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364942

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 113496011) is 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC1CCSC(NC(C)c2cccc(F)c2)=N1.
What is the InChIKey of 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is LNINXZMCBHBDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-3-13-7-8-18-14(17-13)16-10(2)11-5-4-6-12(15)9-11/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 266.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 113496011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).