N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide

C20H15FN4O2S — CID 16676215

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide
SMILESCOc1cc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c2ccccc2n1
InChIInChI=1S/C20H15FN4O2S/c1-27-17-11-15(14-7-2-3-8-16(14)22-17)19(26)23-20-25-24-18(28-20)10-12-5-4-6-13(21)9-12/h2-9,11H,10H2,1H3,(H,23,25,26)
InChIKeyPQIJEOXSQHZRBL-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.08
Rot. Bonds5

About N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide

N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide (PubChem CID 16676215) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide
PubChem CID16676215
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide
SMILESCOc1cc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c2ccccc2n1
InChIInChI=1S/C20H15FN4O2S/c1-27-17-11-15(14-7-2-3-8-16(14)22-17)19(26)23-20-25-24-18(28-20)10-12-5-4-6-13(21)9-12/h2-9,11H,10H2,1H3,(H,23,25,26)
InChIKeyPQIJEOXSQHZRBL-UHFFFAOYSA-N
XLogP4.08
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5-methyl-2-furyl)-4-quinolinecarboxamide
CID 5064757
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2088045
1-{[(5-Propyl-1,3,4-thiadiazol-2-yl)amino]carbonyl}propyl 2-methyl-4-quinolinecarboxylate
CID 2924605
2-[(5-Isopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl 2-methyl-4-quinolinecarboxylate
CID 1154401
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 44610292
2-(2,5-dimethoxyphenyl)-N-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-quinolinecarboxamide
CID 995167
2-Oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl 2-methylquinoline-4-carboxylate
CID 3149828
2-(2,4-dimethoxyphenyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]quinoline-4-carboxamide
CID 2930945
2-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 16551099
3-(5-fluoro-2-methoxyphenyl)-N-[5-[(2R)-2-(1-methylindol-2-yl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 178347438
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 1293982
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 1312158

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide (CID 16676215) is N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide is COc1cc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c2ccccc2n1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide?
The InChIKey is PQIJEOXSQHZRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-27-17-11-15(14-7-2-3-8-16(14)22-17)19(26)23-20-25-24-18(28-20)10-12-5-4-6-13(21)9-12/h2-9,11H,10H2,1H3,(H,23,25,26).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 16676215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).