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

C14H19FN2S — CID 114177130

IUPAC4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2ccccc2F)=N1
InChIInChI=1S/C14H19FN2S/c1-14(2,3)12-8-9-18-13(17-12)16-11-7-5-4-6-10(11)15/h4-7,12H,8-9H2,1-3H3,(H,16,17)
InChIKeyRFCYGGGBHXVJOS-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.15
Rot. Bonds1

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

4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 114177130) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID114177130
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2ccccc2F)=N1
InChIInChI=1S/C14H19FN2S/c1-14(2,3)12-8-9-18-13(17-12)16-11-7-5-4-6-10(11)15/h4-7,12H,8-9H2,1-3H3,(H,16,17)
InChIKeyRFCYGGGBHXVJOS-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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 114177130) is 4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)(C)C1CCSC(Nc2ccccc2F)=N1.
What is the InChIKey of 4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RFCYGGGBHXVJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-14(2,3)12-8-9-18-13(17-12)16-11-7-5-4-6-10(11)15/h4-7,12H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(2-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-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 114177130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).