N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide

C17H9F3N4OS — CID 71891755

IUPACN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C17H9F3N4OS/c18-17(19,20)15-23-24-16(26-15)22-14(25)12-8-9-4-1-2-5-10(9)11-6-3-7-21-13(11)12/h1-8H,(H,22,24,25)
InChIKeyCGDQZAZWPKWOIV-UHFFFAOYSA-N
MW374.35 g/mol
LogP4.51
Rot. Bonds2

About N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide (PubChem CID 71891755) has the molecular formula C17H9F3N4OS and a molecular weight of 374.35 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide
PubChem CID71891755
Molecular FormulaC17H9F3N4OS
Molecular Weight374.35 g/mol
Exact Mass374.04
IUPAC NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C17H9F3N4OS/c18-17(19,20)15-23-24-16(26-15)22-14(25)12-8-9-4-1-2-5-10(9)11-6-3-7-21-13(11)12/h1-8H,(H,22,24,25)
InChIKeyCGDQZAZWPKWOIV-UHFFFAOYSA-N
XLogP4.51
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide 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

2-fluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077801
2-iodo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3386345
N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide
CID 71894350
N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
CID 51090073
5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2225350
N-(2-fluoro-5-nitrophenyl)benzo[f]quinoline-5-carboxamide
CID 60528342
N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55754135
3-ethylsulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 118298962
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
N-(6-methoxy-2-methyl-3-pyridinyl)benzo[f]quinoline-5-carboxamide
CID 100646487
N-(2-chloro-4-methoxyphenyl)benzo[f]quinoline-5-carboxamide
CID 71883734
N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide
CID 60610166

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide (CID 71891755) is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)c1cc2ccccc2c2cccnc12.
What is the InChIKey of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide?
The InChIKey is CGDQZAZWPKWOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4OS/c18-17(19,20)15-23-24-16(26-15)22-14(25)12-8-9-4-1-2-5-10(9)11-6-3-7-21-13(11)12/h1-8H,(H,22,24,25).
What are the key properties of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide?
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide has a molecular weight of 374.35 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 71891755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).