N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C22H22N4O2S — CID 86968014

IUPACN-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2ccc(CNC(=O)Cc3csc(N4CCNC4=O)n3)cc2)c1
InChIInChI=1S/C22H22N4O2S/c1-15-3-2-4-18(11-15)17-7-5-16(6-8-17)13-24-20(27)12-19-14-29-22(25-19)26-10-9-23-21(26)28/h2-8,11,14H,9-10,12-13H2,1H3,(H,23,28)(H,24,27)
InChIKeyHOAXAVKTDNMWID-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.51
Rot. Bonds6

About N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 86968014) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID86968014
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cccc(-c2ccc(CNC(=O)Cc3csc(N4CCNC4=O)n3)cc2)c1
InChIInChI=1S/C22H22N4O2S/c1-15-3-2-4-18(11-15)17-7-5-16(6-8-17)13-24-20(27)12-19-14-29-22(25-19)26-10-9-23-21(26)28/h2-8,11,14H,9-10,12-13H2,1H3,(H,23,28)(H,24,27)
InChIKeyHOAXAVKTDNMWID-UHFFFAOYSA-N
XLogP3.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 86968014) is N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is Cc1cccc(-c2ccc(CNC(=O)Cc3csc(N4CCNC4=O)n3)cc2)c1.
What is the InChIKey of N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is HOAXAVKTDNMWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-15-3-2-4-18(11-15)17-7-5-16(6-8-17)13-24-20(27)12-19-14-29-22(25-19)26-10-9-23-21(26)28/h2-8,11,14H,9-10,12-13H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylphenyl)phenyl]methyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 86968014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).