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

C10H10BrClN2S — CID 81275151

IUPACN-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESClc1ccc(Br)c(NC2=NCCCS2)c1
InChIInChI=1S/C10H10BrClN2S/c11-8-3-2-7(12)6-9(8)14-10-13-4-1-5-15-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyCMCGDETZKFDTIB-UHFFFAOYSA-N
MW305.63 g/mol
LogP4.01
Rot. Bonds1

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

N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 81275151) has the molecular formula C10H10BrClN2S and a molecular weight of 305.63 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID81275151
Molecular FormulaC10H10BrClN2S
Molecular Weight305.63 g/mol
Exact Mass303.94
IUPAC NameN-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESClc1ccc(Br)c(NC2=NCCCS2)c1
InChIInChI=1S/C10H10BrClN2S/c11-8-3-2-7(12)6-9(8)14-10-13-4-1-5-15-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyCMCGDETZKFDTIB-UHFFFAOYSA-N
XLogP4.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.63
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 81275151) is N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Clc1ccc(Br)c(NC2=NCCCS2)c1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is CMCGDETZKFDTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2S/c11-8-3-2-7(12)6-9(8)14-10-13-4-1-5-15-10/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 305.63 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 81275151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).