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

C15H21FN2S — CID 106351323

IUPAC4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(NC2=NC(C(C)(C)C)CCS2)c(F)c1
InChIInChI=1S/C15H21FN2S/c1-10-5-6-12(11(16)9-10)17-14-18-13(7-8-19-14)15(2,3)4/h5-6,9,13H,7-8H2,1-4H3,(H,17,18)
InChIKeySZHSRHHTGGTBCX-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.45
Rot. Bonds1

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

4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351323) has the molecular formula C15H21FN2S and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351323
Molecular FormulaC15H21FN2S
Molecular Weight280.41 g/mol
Exact Mass280.14
IUPAC Name4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(NC2=NC(C(C)(C)C)CCS2)c(F)c1
InChIInChI=1S/C15H21FN2S/c1-10-5-6-12(11(16)9-10)17-14-18-13(7-8-19-14)15(2,3)4/h5-6,9,13H,7-8H2,1-4H3,(H,17,18)
InChIKeySZHSRHHTGGTBCX-UHFFFAOYSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177130
4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351382
N-(4-bromo-3-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351909
4-tert-butyl-N-(2-fluoro-6-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352248
4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351110
4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351264
N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352291
4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352323
4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 106351284
N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351191
4-methyl-N-(2,4,5-trifluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186722
4-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351140

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351323) is 4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1ccc(NC2=NC(C(C)(C)C)CCS2)c(F)c1.
What is the InChIKey of 4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is SZHSRHHTGGTBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2S/c1-10-5-6-12(11(16)9-10)17-14-18-13(7-8-19-14)15(2,3)4/h5-6,9,13H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 280.41 g/mol, XLogP of 4.45, 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-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).