N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

C22H22N4O2S — CID 25094874

IUPACN-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2C[C@@H](Cc3ccccc3)NC2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H22N4O2S/c1-15-19(20(27)23-13-17-10-6-3-7-11-17)29-22(24-15)26-14-18(25-21(26)28)12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,23,27)(H,25,28)/t18-/m1/s1
InChIKeyZLESCZTUYINREP-GOSISDBHSA-N
MW406.51 g/mol
LogP3.52
Rot. Bonds6

About N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 25094874) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID25094874
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2C[C@@H](Cc3ccccc3)NC2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H22N4O2S/c1-15-19(20(27)23-13-17-10-6-3-7-11-17)29-22(24-15)26-14-18(25-21(26)28)12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,23,27)(H,25,28)/t18-/m1/s1
InChIKeyZLESCZTUYINREP-GOSISDBHSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 25094874) is N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N2C[C@@H](Cc3ccccc3)NC2=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZLESCZTUYINREP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-15-19(20(27)23-13-17-10-6-3-7-11-17)29-22(24-15)26-14-18(25-21(26)28)12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,23,27)(H,25,28)/t18-/m1/s1.
What are the key properties of N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4R)-4-benzyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25094874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).