1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one

C20H15N3O4S2 — CID 39948807

IUPAC1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one
SMILESO=C1CCc2cc(-c3csc(CN4C(=O)c5ccccc5S4(=O)=O)n3)ccc2N1
InChIInChI=1S/C20H15N3O4S2/c24-18-8-6-12-9-13(5-7-15(12)21-18)16-11-28-19(22-16)10-23-20(25)14-3-1-2-4-17(14)29(23,26)27/h1-5,7,9,11H,6,8,10H2,(H,21,24)
InChIKeyTXRNXISCTIIGDF-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.04
Rot. Bonds3

About 1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one

1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one (PubChem CID 39948807) has the molecular formula C20H15N3O4S2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one
PubChem CID39948807
Molecular FormulaC20H15N3O4S2
Molecular Weight425.49 g/mol
Exact Mass425.05
IUPAC Name1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one
SMILESO=C1CCc2cc(-c3csc(CN4C(=O)c5ccccc5S4(=O)=O)n3)ccc2N1
InChIInChI=1S/C20H15N3O4S2/c24-18-8-6-12-9-13(5-7-15(12)21-18)16-11-28-19(22-16)10-23-20(25)14-3-1-2-4-17(14)29(23,26)27/h1-5,7,9,11H,6,8,10H2,(H,21,24)
InChIKeyTXRNXISCTIIGDF-UHFFFAOYSA-N
XLogP3.04
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 131960408
6-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95475662
6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343816
2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 32617724
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343342
6-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 58910717
6-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343413
6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9264375
6-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343463
2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione;hydrobromide
CID 52988773
3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
CID 116866806
1-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carboxamide
CID 135221816

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one?
The IUPAC name of 1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one (CID 39948807) is 1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one.
What is the SMILES notation for 1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one?
The canonical SMILES for 1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one is O=C1CCc2cc(-c3csc(CN4C(=O)c5ccccc5S4(=O)=O)n3)ccc2N1.
What is the InChIKey of 1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one?
The InChIKey is TXRNXISCTIIGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S2/c24-18-8-6-12-9-13(5-7-15(12)21-18)16-11-28-19(22-16)10-23-20(25)14-3-1-2-4-17(14)29(23,26)27/h1-5,7,9,11H,6,8,10H2,(H,21,24).
What are the key properties of 1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one?
1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one has a molecular weight of 425.49 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-[[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-3-one is sourced from PubChem (CID 39948807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).