N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide

C22H18FN5O2S — CID 24556422

IUPACN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4nc(C)c(C)nc4c3)n2)c(F)c1
InChIInChI=1S/C22H18FN5O2S/c1-11-12(2)25-19-8-14(4-7-18(19)24-11)21(30)28-22-27-20(10-31-22)16-6-5-15(9-17(16)23)26-13(3)29/h4-10H,1-3H3,(H,26,29)(H,27,28,30)
InChIKeyHFQVPUOJYDJWDN-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.72
Rot. Bonds4

About N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 24556422) has the molecular formula C22H18FN5O2S and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID24556422
Molecular FormulaC22H18FN5O2S
Molecular Weight435.48 g/mol
Exact Mass435.12
IUPAC NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4nc(C)c(C)nc4c3)n2)c(F)c1
InChIInChI=1S/C22H18FN5O2S/c1-11-12(2)25-19-8-14(4-7-18(19)24-11)21(30)28-22-27-20(10-31-22)16-6-5-15(9-17(16)23)26-13(3)29/h4-10H,1-3H3,(H,26,29)(H,27,28,30)
InChIKeyHFQVPUOJYDJWDN-UHFFFAOYSA-N
XLogP4.72
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 36541524
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
methyl 5-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55824497
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55460998
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 60551770
4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide (CID 24556422) is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4nc(C)c(C)nc4c3)n2)c(F)c1.
What is the InChIKey of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is HFQVPUOJYDJWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2S/c1-11-12(2)25-19-8-14(4-7-18(19)24-11)21(30)28-22-27-20(10-31-22)16-6-5-15(9-17(16)23)26-13(3)29/h4-10H,1-3H3,(H,26,29)(H,27,28,30).
What are the key properties of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 24556422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).