4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine

C22H17FN2O2S — CID 1355190

IUPAC4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1F
InChIInChI=1S/C22H17FN2O2S/c1-26-21-12-7-15(13-19(21)23)20-14-28-22(25-20)24-16-8-10-18(11-9-16)27-17-5-3-2-4-6-17/h2-14H,1H3,(H,24,25)
InChIKeyADHKPBALUJPCKI-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.49
Rot. Bonds6

About 4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine

4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 1355190) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
PubChem CID1355190
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1F
InChIInChI=1S/C22H17FN2O2S/c1-26-21-12-7-15(13-19(21)23)20-14-28-22(25-20)24-16-8-10-18(11-9-16)27-17-5-3-2-4-6-17/h2-14H,1H3,(H,24,25)
InChIKeyADHKPBALUJPCKI-UHFFFAOYSA-N
XLogP6.49
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-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-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (CID 1355190) is 4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is ADHKPBALUJPCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c1-26-21-12-7-15(13-19(21)23)20-14-28-22(25-20)24-16-8-10-18(11-9-16)27-17-5-3-2-4-6-17/h2-14H,1H3,(H,24,25).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 392.46 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1355190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).