N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C15H11BrF2N2S — CID 102854291

IUPACN-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(F)c(NC2=NC(c3ccccc3)CS2)cc1Br
InChIInChI=1S/C15H11BrF2N2S/c16-10-6-13(12(18)7-11(10)17)19-15-20-14(8-21-15)9-4-2-1-3-5-9/h1-7,14H,8H2,(H,19,20)
InChIKeyGGWNSACZNJFDOC-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.98
Rot. Bonds2

About N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 102854291) has the molecular formula C15H11BrF2N2S and a molecular weight of 369.23 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID102854291
Molecular FormulaC15H11BrF2N2S
Molecular Weight369.23 g/mol
Exact Mass367.98
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(F)c(NC2=NC(c3ccccc3)CS2)cc1Br
InChIInChI=1S/C15H11BrF2N2S/c16-10-6-13(12(18)7-11(10)17)19-15-20-14(8-21-15)9-4-2-1-3-5-9/h1-7,14H,8H2,(H,19,20)
InChIKeyGGWNSACZNJFDOC-UHFFFAOYSA-N
XLogP4.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.98
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-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 103586627
N-(2-bromo-5-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81275549
N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637509
N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182910
N-(3-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 79049823
N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 102854296
N-(4-fluoro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63184109
N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182970
N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 102854306
N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183120
N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182912
N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182893

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 102854291) is N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is Fc1cc(F)c(NC2=NC(c3ccccc3)CS2)cc1Br.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GGWNSACZNJFDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2S/c16-10-6-13(12(18)7-11(10)17)19-15-20-14(8-21-15)9-4-2-1-3-5-9/h1-7,14H,8H2,(H,19,20).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 369.23 g/mol, XLogP of 4.98, 2 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)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 102854291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).