(4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C15H16FN5O2S — CID 97142730

IUPAC(4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESNc1nnc(CCCNC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)s1
InChIInChI=1S/C15H16FN5O2S/c16-8-3-4-11-9(6-8)10(7-12(22)19-11)14(23)18-5-1-2-13-20-21-15(17)24-13/h3-4,6,10H,1-2,5,7H2,(H2,17,21)(H,18,23)(H,19,22)/t10-/m0/s1
InChIKeyJQFDOOBGCZCVJR-JTQLQIEISA-N
MW349.39 g/mol
LogP1.43
Rot. Bonds5

About (4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 97142730) has the molecular formula C15H16FN5O2S and a molecular weight of 349.39 g/mol. Its IUPAC name is (4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID97142730
Molecular FormulaC15H16FN5O2S
Molecular Weight349.39 g/mol
Exact Mass349.10
IUPAC Name(4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESNc1nnc(CCCNC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)s1
InChIInChI=1S/C15H16FN5O2S/c16-8-3-4-11-9(6-8)10(7-12(22)19-11)14(23)18-5-1-2-13-20-21-15(17)24-13/h3-4,6,10H,1-2,5,7H2,(H2,17,21)(H,18,23)(H,19,22)/t10-/m0/s1
InChIKeyJQFDOOBGCZCVJR-JTQLQIEISA-N
XLogP1.43
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-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

(4S)-6-fluoro-2-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97130921
N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70781799
(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97119524
6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70711274
(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97157046
(4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97115265
6-fluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70735481
6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70776023
(4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97134218
N-[4-(4-ethylpiperazin-1-yl)butyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86985115
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 138992300

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 97142730) is (4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Nc1nnc(CCCNC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)s1.
What is the InChIKey of (4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is JQFDOOBGCZCVJR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN5O2S/c16-8-3-4-11-9(6-8)10(7-12(22)19-11)14(23)18-5-1-2-13-20-21-15(17)24-13/h3-4,6,10H,1-2,5,7H2,(H2,17,21)(H,18,23)(H,19,22)/t10-/m0/s1.
What are the key properties of (4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97142730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).