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

C16H10ClF3N2S — CID 3120295

IUPAC5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc(Nc2ccccc2)sc1-c1cccc(Cl)c1
InChIInChI=1S/C16H10ClF3N2S/c17-11-6-4-5-10(9-11)13-14(16(18,19)20)22-15(23-13)21-12-7-2-1-3-8-12/h1-9H,(H,21,22)
InChIKeyJDESXVMADOMISB-UHFFFAOYSA-N
MW354.78 g/mol
LogP6.23
Rot. Bonds3

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

5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 3120295) has the molecular formula C16H10ClF3N2S and a molecular weight of 354.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID3120295
Molecular FormulaC16H10ClF3N2S
Molecular Weight354.78 g/mol
Exact Mass354.02
IUPAC Name5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc(Nc2ccccc2)sc1-c1cccc(Cl)c1
InChIInChI=1S/C16H10ClF3N2S/c17-11-6-4-5-10(9-11)13-14(16(18,19)20)22-15(23-13)21-12-7-2-1-3-8-12/h1-9H,(H,21,22)
InChIKeyJDESXVMADOMISB-UHFFFAOYSA-N
XLogP6.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.78
LogP ≤ 56.23
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-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 3120295) is 5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1nc(Nc2ccccc2)sc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is JDESXVMADOMISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2S/c17-11-6-4-5-10(9-11)13-14(16(18,19)20)22-15(23-13)21-12-7-2-1-3-8-12/h1-9H,(H,21,22).
What are the key properties of 5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 354.78 g/mol, XLogP of 6.23, 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-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3120295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).