2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole

C19H14F2N4O5S2 — CID 87181122

IUPAC2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
SMILESCc1c(Cc2ccnc(NS(N)(=O)=O)c2F)c(=O)oc2cc(Oc3nccs3)c(F)cc12
InChIInChI=1S/C19H14F2N4O5S2/c1-9-11-7-13(20)15(30-19-24-4-5-31-19)8-14(11)29-18(26)12(9)6-10-2-3-23-17(16(10)21)25-32(22,27)28/h2-5,7-8H,6H2,1H3,(H,23,25)(H2,22,27,28)
InChIKeyOIOTUVGYBNEQJA-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.23
Rot. Bonds6

About 2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole

2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole (PubChem CID 87181122) has the molecular formula C19H14F2N4O5S2 and a molecular weight of 480.47 g/mol. Its IUPAC name is 2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
PubChem CID87181122
Molecular FormulaC19H14F2N4O5S2
Molecular Weight480.47 g/mol
Exact Mass480.04
IUPAC Name2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
SMILESCc1c(Cc2ccnc(NS(N)(=O)=O)c2F)c(=O)oc2cc(Oc3nccs3)c(F)cc12
InChIInChI=1S/C19H14F2N4O5S2/c1-9-11-7-13(20)15(30-19-24-4-5-31-19)8-14(11)29-18(26)12(9)6-10-2-3-23-17(16(10)21)25-32(22,27)28/h2-5,7-8H,6H2,1H3,(H,23,25)(H2,22,27,28)
InChIKeyOIOTUVGYBNEQJA-UHFFFAOYSA-N
XLogP3.23
TPSA137.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one
CID 24754286
2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
CID 24753606
4,6-dimethyl-3-[[3-(methylsulfamoylamino)phenyl]methyl]-7-(1,3-thiazol-2-yloxy)chromen-2-one
CID 24753974
7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one
CID 169262607
7-[(3-fluoro-2-pyridinyl)oxy]-3-[[3-fluoro-2-(trideuteriomethylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one
CID 169262614
[4-[(4,6-dimethyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]-3-fluoro-2-pyridinyl]-(methylsulfamoyl)azanide
CID 59139201
ethane;2-[3-[[2-fluoro-3-(sulfinamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
CID 143523054
3-[[3-fluoro-2-(methylaminosulfanylamino)-4-pyridinyl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one
CID 129259938
[3-[[2-(ethylsulfonylamino)-3-fluoro-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 165147885
3-[3-[[2-(dimethylsulfamoylamino)-3-fluoro-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxypyridazine
CID 178170868
6-fluoro-3-[[2-fluoro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromene
CID 123303875
CID 87181285
CID 87181285

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole (CID 87181122) is 2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole is Cc1c(Cc2ccnc(NS(N)(=O)=O)c2F)c(=O)oc2cc(Oc3nccs3)c(F)cc12.
What is the InChIKey of 2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole?
The InChIKey is OIOTUVGYBNEQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O5S2/c1-9-11-7-13(20)15(30-19-24-4-5-31-19)8-14(11)29-18(26)12(9)6-10-2-3-23-17(16(10)21)25-32(22,27)28/h2-5,7-8H,6H2,1H3,(H,23,25)(H2,22,27,28).
What are the key properties of 2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole?
2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole has a molecular weight of 480.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole is sourced from PubChem (CID 87181122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).