N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine

C11H11BrN2S — CID 166440825

IUPACN-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine
SMILESC=C1CCN=C(Nc2ccc(Br)cc2)S1
InChIInChI=1S/C11H11BrN2S/c1-8-6-7-13-11(15-8)14-10-4-2-9(12)3-5-10/h2-5H,1,6-7H2,(H,13,14)
InChIKeyKHCKHEMLNQRXOE-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.87
Rot. Bonds1

About N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine

N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine (PubChem CID 166440825) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine
PubChem CID166440825
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC NameN-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine
SMILESC=C1CCN=C(Nc2ccc(Br)cc2)S1
InChIInChI=1S/C11H11BrN2S/c1-8-6-7-13-11(15-8)14-10-4-2-9(12)3-5-10/h2-5H,1,6-7H2,(H,13,14)
InChIKeyKHCKHEMLNQRXOE-UHFFFAOYSA-N
XLogP3.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine (CID 166440825) is N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine is C=C1CCN=C(Nc2ccc(Br)cc2)S1.
What is the InChIKey of N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine?
The InChIKey is KHCKHEMLNQRXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-8-6-7-13-11(15-8)14-10-4-2-9(12)3-5-10/h2-5H,1,6-7H2,(H,13,14).
What are the key properties of N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine?
N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine has a molecular weight of 283.19 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-methylidene-4,5-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 166440825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).