8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one

C23H16F4N4OS — CID 91263568

IUPAC8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one
SMILESO=c1[nH]c2c3cc(F)ncc3ccc2c2sc(NCCCc3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C23H16F4N4OS/c24-17-10-16-13(11-29-17)5-8-15-18(16)30-21(32)19-20(15)33-22(31-19)28-9-1-2-12-3-6-14(7-4-12)23(25,26)27/h3-8,10-11H,1-2,9H2,(H,28,31)(H,30,32)
InChIKeyDNQJYOFSEZJJLR-UHFFFAOYSA-N
MW472.47 g/mol
LogP5.89
Rot. Bonds5

About 8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one

8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one (PubChem CID 91263568) has the molecular formula C23H16F4N4OS and a molecular weight of 472.47 g/mol. Its IUPAC name is 8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one.

Molecular Properties

Compound Name8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one
PubChem CID91263568
Molecular FormulaC23H16F4N4OS
Molecular Weight472.47 g/mol
Exact Mass472.10
IUPAC Name8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one
SMILESO=c1[nH]c2c3cc(F)ncc3ccc2c2sc(NCCCc3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C23H16F4N4OS/c24-17-10-16-13(11-29-17)5-8-15-18(16)30-21(32)19-20(15)33-22(31-19)28-9-1-2-12-3-6-14(7-4-12)23(25,26)27/h3-8,10-11H,1-2,9H2,(H,28,31)(H,30,32)
InChIKeyDNQJYOFSEZJJLR-UHFFFAOYSA-N
XLogP5.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one with MolForge

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

Launch Full Analysis

Related Compounds

5-(3-fluoroisoquinolin-6-yl)-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-1,3-thiazol-2-amine
CID 89054506
4-(3,4-difluorophenyl)-5-isoquinolin-6-yl-N-[4-[4-(trifluoromethyl)phenyl]butyl]-1,3-thiazol-2-amine
CID 143508715
3-propan-2-ylidene-5-[5-[3-[4-(trifluoromethyl)phenyl]propylamino]-1,3,4-thiadiazol-2-yl]-1H-indol-2-one
CID 71035587
5-(3-fluoroisoquinolin-6-yl)-4-(methoxymethyl)-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-1,3-thiazol-2-amine
CID 89054764
N-[3-[4-(trifluoromethyl)phenyl]propyl]aniline;hydrochloride
CID 69042120
4-(3-methoxypropylamino)-11-methyl-13-(trifluoromethyl)-5,16-dithia-3,8,14-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,10(15),11,13-hexaen-7-one
CID 19615506
4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine
CID 170212771
5-[4-(3-hydroxybut-1-ynyl)-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 89344504
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694
6-[2-[[2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-1,3-thiazol-5-yl]-2H-phthalazin-1-one
CID 87647217
N-(2-phenylethyl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 82549328
2-methyl-4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1H-pyrimidin-6-one
CID 137107209

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one?
The IUPAC name of 8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one (CID 91263568) is 8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one.
What is the SMILES notation for 8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one?
The canonical SMILES for 8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one is O=c1[nH]c2c3cc(F)ncc3ccc2c2sc(NCCCc3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one?
The InChIKey is DNQJYOFSEZJJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4OS/c24-17-10-16-13(11-29-17)5-8-15-18(16)30-21(32)19-20(15)33-22(31-19)28-9-1-2-12-3-6-14(7-4-12)23(25,26)27/h3-8,10-11H,1-2,9H2,(H,28,31)(H,30,32).
What are the key properties of 8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one?
8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one has a molecular weight of 472.47 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-10H-[1,3]thiazolo[4,5-c][1,8]phenanthrolin-11-one is sourced from PubChem (CID 91263568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).