N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide

C21H18FN5O3S — CID 55888121

IUPACN-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESO=C(Cc1csc(N2CCNC2=O)n1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C21H18FN5O3S/c22-14-4-2-6-16(10-14)25-19(29)13-3-1-5-15(9-13)24-18(28)11-17-12-31-21(26-17)27-8-7-23-20(27)30/h1-6,9-10,12H,7-8,11H2,(H,23,30)(H,24,28)(H,25,29)
InChIKeyNDBXXKXSEYDRAN-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.25
Rot. Bonds6

About N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide

N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide (PubChem CID 55888121) has the molecular formula C21H18FN5O3S and a molecular weight of 439.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
PubChem CID55888121
Molecular FormulaC21H18FN5O3S
Molecular Weight439.47 g/mol
Exact Mass439.11
IUPAC NameN-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
SMILESO=C(Cc1csc(N2CCNC2=O)n1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C21H18FN5O3S/c22-14-4-2-6-16(10-14)25-19(29)13-3-1-5-15(9-13)24-18(28)11-17-12-31-21(26-17)27-8-7-23-20(27)30/h1-6,9-10,12H,7-8,11H2,(H,23,30)(H,24,28)(H,25,29)
InChIKeyNDBXXKXSEYDRAN-UHFFFAOYSA-N
XLogP3.25
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55729636
4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 55887416
N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 95179503
N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide
CID 55722966
N-(4-ethylsulfonylphenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55775962
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55947054
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55718596
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55718893
N-(3-methylbutan-2-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 42961693
2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 154773884
N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 86968014
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55726516

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide (CID 55888121) is N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide is O=C(Cc1csc(N2CCNC2=O)n1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
The InChIKey is NDBXXKXSEYDRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3S/c22-14-4-2-6-16(10-14)25-19(29)13-3-1-5-15(9-13)24-18(28)11-17-12-31-21(26-17)27-8-7-23-20(27)30/h1-6,9-10,12H,7-8,11H2,(H,23,30)(H,24,28)(H,25,29).
What are the key properties of N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide?
N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide has a molecular weight of 439.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 55888121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).