5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine

C16H13FN2S — CID 2130702

IUPAC5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine
SMILESFc1ccc(Cc2cnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C16H13FN2S/c17-13-8-6-12(7-9-13)10-15-11-18-16(20-15)19-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,18,19)
InChIKeyLTYRPKBXQYQJCN-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.62
Rot. Bonds4

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

5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 2130702) has the molecular formula C16H13FN2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID2130702
Molecular FormulaC16H13FN2S
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC Name5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine
SMILESFc1ccc(Cc2cnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C16H13FN2S/c17-13-8-6-12(7-9-13)10-15-11-18-16(20-15)19-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,18,19)
InChIKeyLTYRPKBXQYQJCN-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-fluorophenyl)methyl]-N-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 5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine (CID 2130702) is 5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine is Fc1ccc(Cc2cnc(Nc3ccccc3)s2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is LTYRPKBXQYQJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S/c17-13-8-6-12(7-9-13)10-15-11-18-16(20-15)19-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,18,19).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine?
5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 284.36 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2130702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).