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

C14H18Br2N2S — CID 106352323

IUPAC4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2c(Br)cccc2Br)=N1
InChIInChI=1S/C14H18Br2N2S/c1-14(2,3)11-7-8-19-13(17-11)18-12-9(15)5-4-6-10(12)16/h4-6,11H,7-8H2,1-3H3,(H,17,18)
InChIKeyRGBDKVNHFAMMSA-UHFFFAOYSA-N
MW406.19 g/mol
LogP5.53
Rot. Bonds1

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

4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352323) has the molecular formula C14H18Br2N2S and a molecular weight of 406.19 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352323
Molecular FormulaC14H18Br2N2S
Molecular Weight406.19 g/mol
Exact Mass403.96
IUPAC Name4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2c(Br)cccc2Br)=N1
InChIInChI=1S/C14H18Br2N2S/c1-14(2,3)11-7-8-19-13(17-11)18-12-9(15)5-4-6-10(12)16/h4-6,11H,7-8H2,1-3H3,(H,17,18)
InChIKeyRGBDKVNHFAMMSA-UHFFFAOYSA-N
XLogP5.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.19
LogP ≤ 55.53
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-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352323) is 4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)(C)C1CCSC(Nc2c(Br)cccc2Br)=N1.
What is the InChIKey of 4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RGBDKVNHFAMMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2S/c1-14(2,3)11-7-8-19-13(17-11)18-12-9(15)5-4-6-10(12)16/h4-6,11H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 406.19 g/mol, XLogP of 5.53, 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-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).