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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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).