5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C16H9ClF4N2S — CID 3120296

IUPAC5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(C(F)(F)F)c(-c3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C16H9ClF4N2S/c17-10-3-1-2-9(8-10)13-14(16(19,20)21)23-15(24-13)22-12-6-4-11(18)5-7-12/h1-8H,(H,22,23)
InChIKeyMWOWWYXRODGHRJ-UHFFFAOYSA-N
MW372.77 g/mol
LogP6.36
Rot. Bonds3

About 5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 3120296) has the molecular formula C16H9ClF4N2S and a molecular weight of 372.77 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID3120296
Molecular FormulaC16H9ClF4N2S
Molecular Weight372.77 g/mol
Exact Mass372.01
IUPAC Name5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(C(F)(F)F)c(-c3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C16H9ClF4N2S/c17-10-3-1-2-9(8-10)13-14(16(19,20)21)23-15(24-13)22-12-6-4-11(18)5-7-12/h1-8H,(H,22,23)
InChIKeyMWOWWYXRODGHRJ-UHFFFAOYSA-N
XLogP6.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.77
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 3120296) is 5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is Fc1ccc(Nc2nc(C(F)(F)F)c(-c3cccc(Cl)c3)s2)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is MWOWWYXRODGHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF4N2S/c17-10-3-1-2-9(8-10)13-14(16(19,20)21)23-15(24-13)22-12-6-4-11(18)5-7-12/h1-8H,(H,22,23).
What are the key properties of 5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 372.77 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3120296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).