4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C13H15F3N2S — CID 106351748

IUPAC4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(Nc2cc(F)cc(F)c2F)=N1
InChIInChI=1S/C13H15F3N2S/c1-7(2)10-3-4-19-13(17-10)18-11-6-8(14)5-9(15)12(11)16/h5-7,10H,3-4H2,1-2H3,(H,17,18)
InChIKeyGYDFQCWTZBMMKZ-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.03
Rot. Bonds2

About 4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351748) has the molecular formula C13H15F3N2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351748
Molecular FormulaC13H15F3N2S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(Nc2cc(F)cc(F)c2F)=N1
InChIInChI=1S/C13H15F3N2S/c1-7(2)10-3-4-19-13(17-10)18-11-6-8(14)5-9(15)12(11)16/h5-7,10H,3-4H2,1-2H3,(H,17,18)
InChIKeyGYDFQCWTZBMMKZ-UHFFFAOYSA-N
XLogP4.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177135
N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351191
N-(2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177148
N-(4-bromo-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177114
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351157
(4S)-N-(4-bromo-5-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114985894
N-tert-butyl-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351079
(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247207
(4S)-N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246372
N-(dicyclopropylmethyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177191
4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186722
N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858039

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351748) is 4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)C1CCSC(Nc2cc(F)cc(F)c2F)=N1.
What is the InChIKey of 4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is GYDFQCWTZBMMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2S/c1-7(2)10-3-4-19-13(17-10)18-11-6-8(14)5-9(15)12(11)16/h5-7,10H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 288.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2,3,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).