N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide

C20H14F2N4O2S — CID 167984302

IUPACN-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)Nc1ncc(Cc2ccc(F)c(F)c2)s1
InChIInChI=1S/C20H14F2N4O2S/c21-14-6-5-12(8-15(14)22)7-13-9-24-20(29-13)25-18(27)11-26-17-4-2-1-3-16(17)23-10-19(26)28/h1-6,8-10H,7,11H2,(H,24,25,27)
InChIKeyYKMRRZZGRUPLHE-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.36
Rot. Bonds5

About N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 167984302) has the molecular formula C20H14F2N4O2S and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID167984302
Molecular FormulaC20H14F2N4O2S
Molecular Weight412.42 g/mol
Exact Mass412.08
IUPAC NameN-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)Nc1ncc(Cc2ccc(F)c(F)c2)s1
InChIInChI=1S/C20H14F2N4O2S/c21-14-6-5-12(8-15(14)22)7-13-9-24-20(29-13)25-18(27)11-26-17-4-2-1-3-16(17)23-10-19(26)28/h1-6,8-10H,7,11H2,(H,24,25,27)
InChIKeyYKMRRZZGRUPLHE-UHFFFAOYSA-N
XLogP3.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
2-(2-oxoquinoxalin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991608
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 86920219
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 18084166
2-(2-oxoquinoxalin-1-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 8001834
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 32623205
2-(4-fluorophenyl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
CID 31362779
methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 25480937
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
CID 88589486
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24603739

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 167984302) is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide is O=C(Cn1c(=O)cnc2ccccc21)Nc1ncc(Cc2ccc(F)c(F)c2)s1.
What is the InChIKey of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is YKMRRZZGRUPLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2S/c21-14-6-5-12(8-15(14)22)7-13-9-24-20(29-13)25-18(27)11-26-17-4-2-1-3-16(17)23-10-19(26)28/h1-6,8-10H,7,11H2,(H,24,25,27).
What are the key properties of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 412.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 167984302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).