N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide

C10H13BrN2S — CID 24747414

IUPACN-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide
SMILESBr.c1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C10H12N2S.BrH/c1-2-5-9(6-3-1)12-10-11-7-4-8-13-10;/h1-3,5-6H,4,7-8H2,(H,11,12);1H
InChIKeyWUFSJACWBHRPRJ-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.17
Rot. Bonds1

About N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide

N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide (PubChem CID 24747414) has the molecular formula C10H13BrN2S and a molecular weight of 273.20 g/mol. Its IUPAC name is N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide.

Molecular Properties

Compound NameN-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide
PubChem CID24747414
Molecular FormulaC10H13BrN2S
Molecular Weight273.20 g/mol
Exact Mass272.00
IUPAC NameN-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide
SMILESBr.c1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C10H12N2S.BrH/c1-2-5-9(6-3-1)12-10-11-7-4-8-13-10;/h1-3,5-6H,4,7-8H2,(H,11,12);1H
InChIKeyWUFSJACWBHRPRJ-UHFFFAOYSA-N
XLogP3.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide?
The IUPAC name of N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide (CID 24747414) is N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide.
What is the SMILES notation for N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide?
The canonical SMILES for N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide is Br.c1ccc(NC2=NCCCS2)cc1.
What is the InChIKey of N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide?
The InChIKey is WUFSJACWBHRPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.BrH/c1-2-5-9(6-3-1)12-10-11-7-4-8-13-10;/h1-3,5-6H,4,7-8H2,(H,11,12);1H.
What are the key properties of N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide?
N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide has a molecular weight of 273.20 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide is sourced from PubChem (CID 24747414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).