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

C22H23FN4O2S — CID 71057017

IUPACN-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCC1N=C(N2CCN(Cc3ccc(F)cc3)C2=O)SC1C(=O)NCc1ccccc1
InChIInChI=1S/C22H23FN4O2S/c1-15-19(20(28)24-13-16-5-3-2-4-6-16)30-21(25-15)27-12-11-26(22(27)29)14-17-7-9-18(23)10-8-17/h2-10,15,19H,11-14H2,1H3,(H,24,28)
InChIKeyWMIKZCOAMLYYEF-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.24
Rot. Bonds5

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

N-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide (PubChem CID 71057017) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is N-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
PubChem CID71057017
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC NameN-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCC1N=C(N2CCN(Cc3ccc(F)cc3)C2=O)SC1C(=O)NCc1ccccc1
InChIInChI=1S/C22H23FN4O2S/c1-15-19(20(28)24-13-16-5-3-2-4-6-16)30-21(25-15)27-12-11-26(22(27)29)14-17-7-9-18(23)10-8-17/h2-10,15,19H,11-14H2,1H3,(H,24,28)
InChIKeyWMIKZCOAMLYYEF-UHFFFAOYSA-N
XLogP3.24
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10065972, Example 524
CID 136214100
US10065972, Example 482
CID 136214095
US10065972, Example 489
CID 136214096
US10065972, Example 499
CID 136214097
US10065972, Example 501
CID 136214099
US10065972, Example 532
CID 136214103
US10065972, Example 536
CID 136214104
US10065972, Example 539
CID 136214105
US10065972, Example 553
CID 136214106
US10065972, Example 583
CID 136214108
US10065972, Example 617
CID 136214111
N-benzyl-2-[(2E)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3147895

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide (CID 71057017) is N-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide is CC1N=C(N2CCN(Cc3ccc(F)cc3)C2=O)SC1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
The InChIKey is WMIKZCOAMLYYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c1-15-19(20(28)24-13-16-5-3-2-4-6-16)30-21(25-15)27-12-11-26(22(27)29)14-17-7-9-18(23)10-8-17/h2-10,15,19H,11-14H2,1H3,(H,24,28).
What are the key properties of N-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
N-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71057017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).