5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine

C10H6BrF3N2OS — CID 25093333

IUPAC5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2ncc(Br)s2)cc1
InChIInChI=1S/C10H6BrF3N2OS/c11-8-5-15-9(18-8)16-6-1-3-7(4-2-6)17-10(12,13)14/h1-5H,(H,15,16)
InChIKeyDWHXSOQDXRRHTP-UHFFFAOYSA-N
MW339.14 g/mol
LogP4.55
Rot. Bonds3

About 5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine

5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 25093333) has the molecular formula C10H6BrF3N2OS and a molecular weight of 339.14 g/mol. Its IUPAC name is 5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID25093333
Molecular FormulaC10H6BrF3N2OS
Molecular Weight339.14 g/mol
Exact Mass337.93
IUPAC Name5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2ncc(Br)s2)cc1
InChIInChI=1S/C10H6BrF3N2OS/c11-8-5-15-9(18-8)16-6-1-3-7(4-2-6)17-10(12,13)14/h1-5H,(H,15,16)
InChIKeyDWHXSOQDXRRHTP-UHFFFAOYSA-N
XLogP4.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 79075532
5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66342350
5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 116648818
5-[4-(trifluoromethoxy)anilino]pyridine-2-carbothioamide
CID 115488112
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
4-methyl-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-5-carboxylic acid
CID 75176671
N-[(5-bromo-2-pyridinyl)sulfanyl]-4-(trifluoromethoxy)aniline
CID 168963712
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
CID 104532253
[4-(trifluoromethoxy)anilino]azanium
CID 140653145
1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
CID 106557392
5-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxylic acid
CID 64630070

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (CID 25093333) is 5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is FC(F)(F)Oc1ccc(Nc2ncc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is DWHXSOQDXRRHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2OS/c11-8-5-15-9(18-8)16-6-1-3-7(4-2-6)17-10(12,13)14/h1-5H,(H,15,16).
What are the key properties of 5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 339.14 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 25093333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).