N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide

C21H24FN5O3S — CID 55722966

IUPACN-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide
SMILESO=C(Cc1csc(N2CCNC2=O)n1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C21H24FN5O3S/c22-16-7-6-14(10-17(16)26-19(29)13-4-2-1-3-5-13)24-18(28)11-15-12-31-21(25-15)27-9-8-23-20(27)30/h6-7,10,12-13H,1-5,8-9,11H2,(H,23,30)(H,24,28)(H,26,29)
InChIKeyZBFUFBHVKUUJMB-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.51
Rot. Bonds6

About N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide

N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide (PubChem CID 55722966) has the molecular formula C21H24FN5O3S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide
PubChem CID55722966
Molecular FormulaC21H24FN5O3S
Molecular Weight445.52 g/mol
Exact Mass445.16
IUPAC NameN-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide
SMILESO=C(Cc1csc(N2CCNC2=O)n1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C21H24FN5O3S/c22-16-7-6-14(10-17(16)26-19(29)13-4-2-1-3-5-13)24-18(28)11-15-12-31-21(25-15)27-9-8-23-20(27)30/h6-7,10,12-13H,1-5,8-9,11H2,(H,23,30)(H,24,28)(H,26,29)
InChIKeyZBFUFBHVKUUJMB-UHFFFAOYSA-N
XLogP3.51
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide (CID 55722966) is N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide is O=C(Cc1csc(N2CCNC2=O)n1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide?
The InChIKey is ZBFUFBHVKUUJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3S/c22-16-7-6-14(10-17(16)26-19(29)13-4-2-1-3-5-13)24-18(28)11-15-12-31-21(25-15)27-9-8-23-20(27)30/h6-7,10,12-13H,1-5,8-9,11H2,(H,23,30)(H,24,28)(H,26,29).
What are the key properties of N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide?
N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 55722966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).