7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C16H16FN3O2S2 — CID 74234225

IUPAC7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCSCc1nc(CNC(=O)C2CC(=O)Nc3cc(F)ccc32)cs1
InChIInChI=1S/C16H16FN3O2S2/c1-23-8-15-19-10(7-24-15)6-18-16(22)12-5-14(21)20-13-4-9(17)2-3-11(12)13/h2-4,7,12H,5-6,8H2,1H3,(H,18,22)(H,20,21)
InChIKeyZWOKHZQKZFPZOZ-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.89
Rot. Bonds5

About 7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 74234225) has the molecular formula C16H16FN3O2S2 and a molecular weight of 365.46 g/mol. Its IUPAC name is 7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID74234225
Molecular FormulaC16H16FN3O2S2
Molecular Weight365.46 g/mol
Exact Mass365.07
IUPAC Name7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCSCc1nc(CNC(=O)C2CC(=O)Nc3cc(F)ccc32)cs1
InChIInChI=1S/C16H16FN3O2S2/c1-23-8-15-19-10(7-24-15)6-18-16(22)12-5-14(21)20-13-4-9(17)2-3-11(12)13/h2-4,7,12H,5-6,8H2,1H3,(H,18,22)(H,20,21)
InChIKeyZWOKHZQKZFPZOZ-UHFFFAOYSA-N
XLogP2.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 74234225) is 7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CSCc1nc(CNC(=O)C2CC(=O)Nc3cc(F)ccc32)cs1.
What is the InChIKey of 7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is ZWOKHZQKZFPZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S2/c1-23-8-15-19-10(7-24-15)6-18-16(22)12-5-14(21)20-13-4-9(17)2-3-11(12)13/h2-4,7,12H,5-6,8H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 74234225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).