N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C16H23BrN2S — CID 106351572

IUPACN-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(NC1=NC(C(C)(C)C)CCS1)c1cccc(Br)c1
InChIInChI=1S/C16H23BrN2S/c1-11(12-6-5-7-13(17)10-12)18-15-19-14(8-9-20-15)16(2,3)4/h5-7,10-11,14H,8-9H2,1-4H3,(H,18,19)
InChIKeyVHUXQMLDHSNHEP-UHFFFAOYSA-N
MW355.35 g/mol
LogP5.01
Rot. Bonds2

About N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351572) has the molecular formula C16H23BrN2S and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351572
Molecular FormulaC16H23BrN2S
Molecular Weight355.35 g/mol
Exact Mass354.08
IUPAC NameN-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(NC1=NC(C(C)(C)C)CCS1)c1cccc(Br)c1
InChIInChI=1S/C16H23BrN2S/c1-11(12-6-5-7-13(17)10-12)18-15-19-14(8-9-20-15)16(2,3)4/h5-7,10-11,14H,8-9H2,1-4H3,(H,18,19)
InChIKeyVHUXQMLDHSNHEP-UHFFFAOYSA-N
XLogP5.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.35
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[1-(3-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113496011
4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352463
N-[1-(3-bromophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79508130
N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
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2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide
CID 81376410
N-[1-(3-bromophenyl)ethyl]-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 43723358
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752
(1S)-1-(3-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132275
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81382309

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351572) is N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(NC1=NC(C(C)(C)C)CCS1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is VHUXQMLDHSNHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2S/c1-11(12-6-5-7-13(17)10-12)18-15-19-14(8-9-20-15)16(2,3)4/h5-7,10-11,14H,8-9H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 355.35 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).