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

C16H10ClF3N2S — CID 22496401

IUPAC4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H10ClF3N2S/c17-12-5-1-10(2-6-12)14-9-23-15(22-14)21-13-7-3-11(4-8-13)16(18,19)20/h1-9H,(H,21,22)
InChIKeyLMBBCCKSUWWIIU-UHFFFAOYSA-N
MW354.78 g/mol
LogP6.23
Rot. Bonds3

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

4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 22496401) has the molecular formula C16H10ClF3N2S and a molecular weight of 354.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID22496401
Molecular FormulaC16H10ClF3N2S
Molecular Weight354.78 g/mol
Exact Mass354.02
IUPAC Name4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H10ClF3N2S/c17-12-5-1-10(2-6-12)14-9-23-15(22-14)21-13-7-3-11(4-8-13)16(18,19)20/h1-9H,(H,21,22)
InChIKeyLMBBCCKSUWWIIU-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 4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 22496401) is 4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is LMBBCCKSUWWIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2S/c17-12-5-1-10(2-6-12)14-9-23-15(22-14)21-13-7-3-11(4-8-13)16(18,19)20/h1-9H,(H,21,22).
What are the key properties of 4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-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 4-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 22496401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).