N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide

C20H14F4N6OS — CID 87740028

IUPACN-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(NN2CN=CC=N2)cc1
InChIInChI=1S/C20H14F4N6OS/c21-17-14(2-1-3-15(17)20(22,23)24)16-10-32-19(27-16)28-18(31)12-4-6-13(7-5-12)29-30-11-25-8-9-26-30/h1-10,29H,11H2,(H,27,28,31)
InChIKeyYJQJYVVWCZDKDI-UHFFFAOYSA-N
MW462.43 g/mol
LogP4.88
Rot. Bonds5

About N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide

N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide (PubChem CID 87740028) has the molecular formula C20H14F4N6OS and a molecular weight of 462.43 g/mol. Its IUPAC name is N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide
PubChem CID87740028
Molecular FormulaC20H14F4N6OS
Molecular Weight462.43 g/mol
Exact Mass462.09
IUPAC NameN-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(NN2CN=CC=N2)cc1
InChIInChI=1S/C20H14F4N6OS/c21-17-14(2-1-3-15(17)20(22,23)24)16-10-32-19(27-16)28-18(31)12-4-6-13(7-5-12)29-30-11-25-8-9-26-30/h1-10,29H,11H2,(H,27,28,31)
InChIKeyYJQJYVVWCZDKDI-UHFFFAOYSA-N
XLogP4.88
TPSA81.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide 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-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide?
The IUPAC name of N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide (CID 87740028) is N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide.
What is the SMILES notation for N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide?
The canonical SMILES for N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide is O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(NN2CN=CC=N2)cc1.
What is the InChIKey of N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide?
The InChIKey is YJQJYVVWCZDKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N6OS/c21-17-14(2-1-3-15(17)20(22,23)24)16-10-32-19(27-16)28-18(31)12-4-6-13(7-5-12)29-30-11-25-8-9-26-30/h1-10,29H,11H2,(H,27,28,31).
What are the key properties of N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide?
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide has a molecular weight of 462.43 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide is sourced from PubChem (CID 87740028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).