6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one

C12H10FN3OS — CID 82104985

IUPAC6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNc1nc(-c2cc(F)c3c(c2)CCC(=O)N3)cs1
InChIInChI=1S/C12H10FN3OS/c13-8-4-7(9-5-18-12(14)15-9)3-6-1-2-10(17)16-11(6)8/h3-5H,1-2H2,(H2,14,15)(H,16,17)
InChIKeyCUOQZZNGGFWNAH-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.42
Rot. Bonds1

About 6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one

6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82104985) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID82104985
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC Name6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNc1nc(-c2cc(F)c3c(c2)CCC(=O)N3)cs1
InChIInChI=1S/C12H10FN3OS/c13-8-4-7(9-5-18-12(14)15-9)3-6-1-2-10(17)16-11(6)8/h3-5H,1-2H2,(H2,14,15)(H,16,17)
InChIKeyCUOQZZNGGFWNAH-UHFFFAOYSA-N
XLogP2.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(dimethylamino)-3,5-difluorophenyl]-1,3-thiazol-2-amine
CID 121006255
5-(3-amino-1H-pyrazol-5-yl)-7-fluoro-1,3-dihydroindol-2-one
CID 117335864
7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20983674
5-(2-amino-1,3-thiazol-4-yl)-3,3,7-trimethyl-1H-indol-2-one
CID 82104875
3-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117406570
7-fluoro-6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 60529111
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 82174036
7,8-difluoro-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 166091425
6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343816
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 168581627

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 82104985) is 6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one is Nc1nc(-c2cc(F)c3c(c2)CCC(=O)N3)cs1.
What is the InChIKey of 6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CUOQZZNGGFWNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c13-8-4-7(9-5-18-12(14)15-9)3-6-1-2-10(17)16-11(6)8/h3-5H,1-2H2,(H2,14,15)(H,16,17).
What are the key properties of 6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 263.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-thiazol-4-yl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82104985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).