6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C16H13FN4O2S — CID 70776023

IUPAC6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCc2cn3ccsc3n2)c2cc(F)ccc2N1
InChIInChI=1S/C16H13FN4O2S/c17-9-1-2-13-11(5-9)12(6-14(22)20-13)15(23)18-7-10-8-21-3-4-24-16(21)19-10/h1-5,8,12H,6-7H2,(H,18,23)(H,20,22)
InChIKeyDWAXMYSDYOFYPX-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.28
Rot. Bonds3

About 6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 70776023) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID70776023
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCc2cn3ccsc3n2)c2cc(F)ccc2N1
InChIInChI=1S/C16H13FN4O2S/c17-9-1-2-13-11(5-9)12(6-14(22)20-13)15(23)18-7-10-8-21-3-4-24-16(21)19-10/h1-5,8,12H,6-7H2,(H,18,23)(H,20,22)
InChIKeyDWAXMYSDYOFYPX-UHFFFAOYSA-N
XLogP2.28
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

(4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97115265
(4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434866
(4S)-6-fluoro-2-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97130921
(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97119524
N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70781799
(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
(4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 126436107
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 51514522
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
(4R)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51956671
(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434450
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 9266743

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 70776023) is 6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCc2cn3ccsc3n2)c2cc(F)ccc2N1.
What is the InChIKey of 6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is DWAXMYSDYOFYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c17-9-1-2-13-11(5-9)12(6-14(22)20-13)15(23)18-7-10-8-21-3-4-24-16(21)19-10/h1-5,8,12H,6-7H2,(H,18,23)(H,20,22).
What are the key properties of 6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 70776023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).