4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H19FN2S — CID 106351264

IUPAC4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2cccc(F)c2)=N1
InChIInChI=1S/C14H19FN2S/c1-14(2,3)12-7-8-18-13(17-12)16-11-6-4-5-10(15)9-11/h4-6,9,12H,7-8H2,1-3H3,(H,16,17)
InChIKeyFMUVDHWQNIODTQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.15
Rot. Bonds1

About 4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351264) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351264
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2cccc(F)c2)=N1
InChIInChI=1S/C14H19FN2S/c1-14(2,3)12-7-8-18-13(17-12)16-11-6-4-5-10(15)9-11/h4-6,9,12H,7-8H2,1-3H3,(H,16,17)
InChIKeyFMUVDHWQNIODTQ-UHFFFAOYSA-N
XLogP4.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351909
4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352323
4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177130
4-tert-butyl-N-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352248
4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351382
4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351323
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351140
4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 106351284
4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351378
4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351110
N-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61245945
4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177162

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351264) is 4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)(C)C1CCSC(Nc2cccc(F)c2)=N1.
What is the InChIKey of 4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is FMUVDHWQNIODTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-14(2,3)12-7-8-18-13(17-12)16-11-6-4-5-10(15)9-11/h4-6,9,12H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 266.38 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).