N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C13H17BrN2S — CID 81289616

IUPACN-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCc1cc(Br)ccc1NC1=NCC(C)CS1
InChIInChI=1S/C13H17BrN2S/c1-3-10-6-11(14)4-5-12(10)16-13-15-7-9(2)8-17-13/h4-6,9H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyFIPAQCRFNXQNJZ-UHFFFAOYSA-N
MW313.26 g/mol
LogP4.16
Rot. Bonds2

About N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 81289616) has the molecular formula C13H17BrN2S and a molecular weight of 313.26 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID81289616
Molecular FormulaC13H17BrN2S
Molecular Weight313.26 g/mol
Exact Mass312.03
IUPAC NameN-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCc1cc(Br)ccc1NC1=NCC(C)CS1
InChIInChI=1S/C13H17BrN2S/c1-3-10-6-11(14)4-5-12(10)16-13-15-7-9(2)8-17-13/h4-6,9H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyFIPAQCRFNXQNJZ-UHFFFAOYSA-N
XLogP4.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 81289616) is N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCc1cc(Br)ccc1NC1=NCC(C)CS1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is FIPAQCRFNXQNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2S/c1-3-10-6-11(14)4-5-12(10)16-13-15-7-9(2)8-17-13/h4-6,9H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 313.26 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 81289616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).