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

C18H14F4N2S — CID 53272304

IUPACN-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFc1ccc(-c2cnc(CNCc3ccc(C(F)(F)F)cc3)s2)cc1
InChIInChI=1S/C18H14F4N2S/c19-15-7-3-13(4-8-15)16-10-24-17(25-16)11-23-9-12-1-5-14(6-2-12)18(20,21)22/h1-8,10,23H,9,11H2
InChIKeyKJPFDSSHUIOUJP-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.26
Rot. Bonds5

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

N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 53272304) has the molecular formula C18H14F4N2S and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID53272304
Molecular FormulaC18H14F4N2S
Molecular Weight366.38 g/mol
Exact Mass366.08
IUPAC NameN-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFc1ccc(-c2cnc(CNCc3ccc(C(F)(F)F)cc3)s2)cc1
InChIInChI=1S/C18H14F4N2S/c19-15-7-3-13(4-8-15)16-10-24-17(25-16)11-23-9-12-1-5-14(6-2-12)18(20,21)22/h1-8,10,23H,9,11H2
InChIKeyKJPFDSSHUIOUJP-UHFFFAOYSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 53272304) is N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is Fc1ccc(-c2cnc(CNCc3ccc(C(F)(F)F)cc3)s2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is KJPFDSSHUIOUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2S/c19-15-7-3-13(4-8-15)16-10-24-17(25-16)11-23-9-12-1-5-14(6-2-12)18(20,21)22/h1-8,10,23H,9,11H2.
What are the key properties of N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 366.38 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 53272304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).