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

C16H11F3N2OS — CID 87295943

IUPAC4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)22-13-8-6-12(7-9-13)20-15-21-14(10-23-15)11-4-2-1-3-5-11/h1-10H,(H,20,21)
InChIKeyRDNMBMNGXGCNGN-UHFFFAOYSA-N
MW336.34 g/mol
LogP5.45
Rot. Bonds4

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

4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 87295943) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is 4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID87295943
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC Name4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)22-13-8-6-12(7-9-13)20-15-21-14(10-23-15)11-4-2-1-3-5-11/h1-10H,(H,20,21)
InChIKeyRDNMBMNGXGCNGN-UHFFFAOYSA-N
XLogP5.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.34
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (CID 87295943) is 4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is FC(F)(F)Oc1ccc(Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is RDNMBMNGXGCNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c17-16(18,19)22-13-8-6-12(7-9-13)20-15-21-14(10-23-15)11-4-2-1-3-5-11/h1-10H,(H,20,21).
What are the key properties of 4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 336.34 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87295943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).