4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide

C19H20F3N3OS — CID 151988589

IUPAC4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccc(CC2CSCCN2c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3N3OS/c20-19(21,22)15-2-1-3-16(11-15)25-8-9-27-12-17(25)10-13-4-6-14(7-5-13)18(26)24-23/h1-7,11,17H,8-10,12,23H2,(H,24,26)
InChIKeyUEEMWAWRUMEFBX-UHFFFAOYSA-N
MW395.45 g/mol
LogP3.47
Rot. Bonds4

About 4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide

4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide (PubChem CID 151988589) has the molecular formula C19H20F3N3OS and a molecular weight of 395.45 g/mol. Its IUPAC name is 4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide
PubChem CID151988589
Molecular FormulaC19H20F3N3OS
Molecular Weight395.45 g/mol
Exact Mass395.13
IUPAC Name4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccc(CC2CSCCN2c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3N3OS/c20-19(21,22)15-2-1-3-16(11-15)25-8-9-27-12-17(25)10-13-4-6-14(7-5-13)18(26)24-23/h1-7,11,17H,8-10,12,23H2,(H,24,26)
InChIKeyUEEMWAWRUMEFBX-UHFFFAOYSA-N
XLogP3.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
CID 82905845
[1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 3072417
1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 30983731
4-[(4-benzylpiperidin-1-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42850871
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106444508
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
6-[3-(trifluoromethyl)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione
CID 134101252
(3R)-3-[(dimethylamino)methyl]-N-[3-(trifluoromethyl)phenyl]-1,4-thiazepane-4-carboxamide
CID 97105237
3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]benzohydrazide
CID 66382662
(4Z)-4-hydroxyimino-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]butanoic acid
CID 88608475

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide?
The IUPAC name of 4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide (CID 151988589) is 4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide.
What is the SMILES notation for 4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide?
The canonical SMILES for 4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide is NNC(=O)c1ccc(CC2CSCCN2c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide?
The InChIKey is UEEMWAWRUMEFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3OS/c20-19(21,22)15-2-1-3-16(11-15)25-8-9-27-12-17(25)10-13-4-6-14(7-5-13)18(26)24-23/h1-7,11,17H,8-10,12,23H2,(H,24,26).
What are the key properties of 4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide?
4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide has a molecular weight of 395.45 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide is sourced from PubChem (CID 151988589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).