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

C22H21FN4O2S — CID 59481287

IUPAC2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C22H21FN4O2S/c1-15-19(20(28)24-13-17-8-5-9-18(23)12-17)30-21(25-15)27-11-10-26(22(27)29)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H,24,28)
InChIKeyATBDTEAYMAGOCW-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.96
Rot. Bonds6

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

2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 59481287) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID59481287
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C22H21FN4O2S/c1-15-19(20(28)24-13-17-8-5-9-18(23)12-17)30-21(25-15)27-11-10-26(22(27)29)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H,24,28)
InChIKeyATBDTEAYMAGOCW-UHFFFAOYSA-N
XLogP3.96
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[(butylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
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CCR3 Antagonist
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1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(methylcarbamoyl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
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2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 59481287) is 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ATBDTEAYMAGOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-15-19(20(28)24-13-17-8-5-9-18(23)12-17)30-21(25-15)27-11-10-26(22(27)29)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H,24,28).
What are the key properties of 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59481287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).