N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

C23H23F3N4O3S — CID 121397366

IUPACN-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(OCC3CCOCC3)cc(-c3ncc(C(F)(F)F)s3)c2)nn1
InChIInChI=1S/C23H23F3N4O3S/c1-14-2-3-18(30-29-14)11-27-21(31)16-8-17(22-28-12-20(34-22)23(24,25)26)10-19(9-16)33-13-15-4-6-32-7-5-15/h2-3,8-10,12,15H,4-7,11,13H2,1H3,(H,27,31)
InChIKeyJVFRARFSFIRWBD-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.66
Rot. Bonds7

About N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 121397366) has the molecular formula C23H23F3N4O3S and a molecular weight of 492.52 g/mol. Its IUPAC name is N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID121397366
Molecular FormulaC23H23F3N4O3S
Molecular Weight492.52 g/mol
Exact Mass492.14
IUPAC NameN-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(OCC3CCOCC3)cc(-c3ncc(C(F)(F)F)s3)c2)nn1
InChIInChI=1S/C23H23F3N4O3S/c1-14-2-3-18(30-29-14)11-27-21(31)16-8-17(22-28-12-20(34-22)23(24,25)26)10-19(9-16)33-13-15-4-6-32-7-5-15/h2-3,8-10,12,15H,4-7,11,13H2,1H3,(H,27,31)
InChIKeyJVFRARFSFIRWBD-UHFFFAOYSA-N
XLogP4.66
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]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-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (CID 121397366) is N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(CNC(=O)c2cc(OCC3CCOCC3)cc(-c3ncc(C(F)(F)F)s3)c2)nn1.
What is the InChIKey of N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JVFRARFSFIRWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3S/c1-14-2-3-18(30-29-14)11-27-21(31)16-8-17(22-28-12-20(34-22)23(24,25)26)10-19(9-16)33-13-15-4-6-32-7-5-15/h2-3,8-10,12,15H,4-7,11,13H2,1H3,(H,27,31).
What are the key properties of N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 492.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 121397366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).