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

C14H18BrClN2S — CID 106352291

IUPACN-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2cccc(Cl)c2Br)=N1
InChIInChI=1S/C14H18BrClN2S/c1-14(2,3)11-7-8-19-13(18-11)17-10-6-4-5-9(16)12(10)15/h4-6,11H,7-8H2,1-3H3,(H,17,18)
InChIKeyDEBQCEIMTGPMFX-UHFFFAOYSA-N
MW361.74 g/mol
LogP5.42
Rot. Bonds1

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

N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352291) has the molecular formula C14H18BrClN2S and a molecular weight of 361.74 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352291
Molecular FormulaC14H18BrClN2S
Molecular Weight361.74 g/mol
Exact Mass360.01
IUPAC NameN-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2cccc(Cl)c2Br)=N1
InChIInChI=1S/C14H18BrClN2S/c1-14(2,3)11-7-8-19-13(18-11)17-10-6-4-5-9(16)12(10)15/h4-6,11H,7-8H2,1-3H3,(H,17,18)
InChIKeyDEBQCEIMTGPMFX-UHFFFAOYSA-N
XLogP5.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.74
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352291) is N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)(C)C1CCSC(Nc2cccc(Cl)c2Br)=N1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is DEBQCEIMTGPMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2S/c1-14(2,3)11-7-8-19-13(18-11)17-10-6-4-5-9(16)12(10)15/h4-6,11H,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 361.74 g/mol, XLogP of 5.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).