N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

C21H20F4N6S — CID 155567585

IUPACN-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(Nc4cc(C(F)(F)F)nn4C(C)(C)C)n3)cc2F)cn1
InChIInChI=1S/C21H20F4N6S/c1-12-9-30(11-26-12)16-6-5-13(7-14(16)22)15-10-32-19(27-15)28-18-8-17(21(23,24)25)29-31(18)20(2,3)4/h5-11H,1-4H3,(H,27,28)
InChIKeyLQMWSUGVJOAIOD-UHFFFAOYSA-N
MW464.49 g/mol
LogP6.16
Rot. Bonds4

About N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 155567585) has the molecular formula C21H20F4N6S and a molecular weight of 464.49 g/mol. Its IUPAC name is N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID155567585
Molecular FormulaC21H20F4N6S
Molecular Weight464.49 g/mol
Exact Mass464.14
IUPAC NameN-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(Nc4cc(C(F)(F)F)nn4C(C)(C)C)n3)cc2F)cn1
InChIInChI=1S/C21H20F4N6S/c1-12-9-30(11-26-12)16-6-5-13(7-14(16)22)15-10-32-19(27-15)28-18-8-17(21(23,24)25)29-31(18)20(2,3)4/h5-11H,1-4H3,(H,27,28)
InChIKeyLQMWSUGVJOAIOD-UHFFFAOYSA-N
XLogP6.16
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 155567585) is N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is Cc1cn(-c2ccc(-c3csc(Nc4cc(C(F)(F)F)nn4C(C)(C)C)n3)cc2F)cn1.
What is the InChIKey of N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is LQMWSUGVJOAIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N6S/c1-12-9-30(11-26-12)16-6-5-13(7-14(16)22)15-10-32-19(27-15)28-18-8-17(21(23,24)25)29-31(18)20(2,3)4/h5-11H,1-4H3,(H,27,28).
What are the key properties of N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 464.49 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155567585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).