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

C22H22N4O2S — CID 25094597

IUPACN-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H22N4O2S/c1-16-19(20(27)23-14-17-8-4-2-5-9-17)29-21(24-16)26-13-12-25(22(26)28)15-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3,(H,23,27)
InChIKeyHXSWXRXBLJSSDO-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.82
Rot. Bonds6

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

N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 25094597) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID25094597
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H22N4O2S/c1-16-19(20(27)23-14-17-8-4-2-5-9-17)29-21(24-16)26-13-12-25(22(26)28)15-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3,(H,23,27)
InChIKeyHXSWXRXBLJSSDO-UHFFFAOYSA-N
XLogP3.82
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 25094597) is N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HXSWXRXBLJSSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-16-19(20(27)23-14-17-8-4-2-5-9-17)29-21(24-16)26-13-12-25(22(26)28)15-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3,(H,23,27).
What are the key properties of N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25094597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).