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

C16H15FN4O2S — CID 17028164

IUPAC6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)s1
InChIInChI=1S/C16H15FN4O2S/c1-8(2)5-13-20-21-16(24-13)19-15(23)11-7-18-12-4-3-9(17)6-10(12)14(11)22/h3-4,6-8H,5H2,1-2H3,(H,18,22)(H,19,21,23)
InChIKeyMNVCSLNZIKAOSW-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.97
Rot. Bonds4

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

6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 17028164) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID17028164
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)s1
InChIInChI=1S/C16H15FN4O2S/c1-8(2)5-13-20-21-16(24-13)19-15(23)11-7-18-12-4-3-9(17)6-10(12)14(11)22/h3-4,6-8H,5H2,1-2H3,(H,18,22)(H,19,21,23)
InChIKeyMNVCSLNZIKAOSW-UHFFFAOYSA-N
XLogP2.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide (CID 17028164) is 6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide is CC(C)Cc1nnc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)s1.
What is the InChIKey of 6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MNVCSLNZIKAOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-8(2)5-13-20-21-16(24-13)19-15(23)11-7-18-12-4-3-9(17)6-10(12)14(11)22/h3-4,6-8H,5H2,1-2H3,(H,18,22)(H,19,21,23).
What are the key properties of 6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17028164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).