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

C10H9BrF2N2S — CID 102854293

IUPACN-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1cc(F)c(NC2=NCCCS2)cc1Br
InChIInChI=1S/C10H9BrF2N2S/c11-6-4-9(8(13)5-7(6)12)15-10-14-2-1-3-16-10/h4-5H,1-3H2,(H,14,15)
InChIKeyPCLPOPGQNLFOIY-UHFFFAOYSA-N
MW307.16 g/mol
LogP3.63
Rot. Bonds1

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

N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 102854293) has the molecular formula C10H9BrF2N2S and a molecular weight of 307.16 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID102854293
Molecular FormulaC10H9BrF2N2S
Molecular Weight307.16 g/mol
Exact Mass305.96
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1cc(F)c(NC2=NCCCS2)cc1Br
InChIInChI=1S/C10H9BrF2N2S/c11-6-4-9(8(13)5-7(6)12)15-10-14-2-1-3-16-10/h4-5H,1-3H2,(H,14,15)
InChIKeyPCLPOPGQNLFOIY-UHFFFAOYSA-N
XLogP3.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 102854306
N-(2,5-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068132
N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 29068137
N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 102854296
N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 102854291
N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61477483
N-(2,4,5-trifluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967856
N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 14391638
N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 102854532
N-(2-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345497
N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107589103
5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide
CID 102854816

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 102854293) is N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Fc1cc(F)c(NC2=NCCCS2)cc1Br.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is PCLPOPGQNLFOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N2S/c11-6-4-9(8(13)5-7(6)12)15-10-14-2-1-3-16-10/h4-5H,1-3H2,(H,14,15).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 307.16 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 102854293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).