5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide

C20H16FN5O3S2 — CID 157209486

IUPAC5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Cc2cnc3cc(F)ccc3n2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H16FN5O3S2/c1-11-19(20(27)25-13-3-5-15(6-4-13)31(22,28)29)18(30-26-11)9-14-10-23-17-8-12(21)2-7-16(17)24-14/h2-8,10H,9H2,1H3,(H,25,27)(H2,22,28,29)
InChIKeyARSONZXKFRHLNM-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.02
Rot. Bonds5

About 5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide

5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide (PubChem CID 157209486) has the molecular formula C20H16FN5O3S2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide
PubChem CID157209486
Molecular FormulaC20H16FN5O3S2
Molecular Weight457.51 g/mol
Exact Mass457.07
IUPAC Name5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Cc2cnc3cc(F)ccc3n2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H16FN5O3S2/c1-11-19(20(27)25-13-3-5-15(6-4-13)31(22,28)29)18(30-26-11)9-14-10-23-17-8-12(21)2-7-16(17)24-14/h2-8,10H,9H2,1H3,(H,25,27)(H2,22,28,29)
InChIKeyARSONZXKFRHLNM-UHFFFAOYSA-N
XLogP3.02
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide
CID 159245957
N-(3,4-difluorophenyl)-3-methyl-5-[[5-(methylcarbamoyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
CID 160937304
3-methyl-N-[3-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide
CID 159077567
5-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide
CID 84576736
5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(3-methylsulfonylphenyl)-1,2-thiazole-4-carboxamide
CID 159092776
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518
N-[4-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-3-fluorophenyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
CID 149197157
tert-butyl N-[2-[2-fluoro-4-[[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carbonyl]amino]phenoxy]ethyl]carbamate
CID 158540246
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 42927586
3-methyl-N-[6-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-1,2-thiazole-4-carboxamide
CID 159050631

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide (CID 157209486) is 5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide is Cc1nsc(Cc2cnc3cc(F)ccc3n2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide?
The InChIKey is ARSONZXKFRHLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S2/c1-11-19(20(27)25-13-3-5-15(6-4-13)31(22,28)29)18(30-26-11)9-14-10-23-17-8-12(21)2-7-16(17)24-14/h2-8,10H,9H2,1H3,(H,25,27)(H2,22,28,29).
What are the key properties of 5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide?
5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 157209486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).