N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine

C16H12BrF3N4S — CID 133420638

IUPACN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC(Nc1ccc(C(F)(F)F)nn1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C16H12BrF3N4S/c1-9(21-14-7-6-13(23-24-14)16(18,19)20)15-22-12(8-25-15)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,21,24)
InChIKeyPFNOBPFXIYZDNO-UHFFFAOYSA-N
MW429.27 g/mol
LogP5.55
Rot. Bonds4

About N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133420638) has the molecular formula C16H12BrF3N4S and a molecular weight of 429.27 g/mol. Its IUPAC name is N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133420638
Molecular FormulaC16H12BrF3N4S
Molecular Weight429.27 g/mol
Exact Mass427.99
IUPAC NameN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC(Nc1ccc(C(F)(F)F)nn1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C16H12BrF3N4S/c1-9(21-14-7-6-13(23-24-14)16(18,19)20)15-22-12(8-25-15)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,21,24)
InChIKeyPFNOBPFXIYZDNO-UHFFFAOYSA-N
XLogP5.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.27
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol
CID 97353571
(2R)-2-amino-N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]propanamide;hydrochloride
CID 119340387
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide
CID 146094803
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-[2-(1-methyltriazol-4-yl)ethyl]ethanamine
CID 131962153
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
CID 55183999
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide
CID 119812957
N-(1-methylsulfanylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 115875636
3-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanoic acid
CID 122006908
3-N-[6-(4-bromophenyl)pyridazin-3-yl]butane-1,3-diamine
CID 116970760
2-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565229
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119812966
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338979

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 133420638) is N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine is CC(Nc1ccc(C(F)(F)F)nn1)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is PFNOBPFXIYZDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N4S/c1-9(21-14-7-6-13(23-24-14)16(18,19)20)15-22-12(8-25-15)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,21,24).
What are the key properties of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 429.27 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133420638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).