N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

C21H19FN4O3S — CID 163610913

IUPACN-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2C(=O)CN(C3C=CC(F)=CC3)C2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H19FN4O3S/c1-13-18(19(28)23-11-14-5-3-2-4-6-14)30-20(24-13)26-17(27)12-25(21(26)29)16-9-7-15(22)8-10-16/h2-9,16H,10-12H2,1H3,(H,23,28)
InChIKeyHFVOKVNGZWRONJ-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.33
Rot. Bonds5

About N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 163610913) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID163610913
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC NameN-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2C(=O)CN(C3C=CC(F)=CC3)C2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H19FN4O3S/c1-13-18(19(28)23-11-14-5-3-2-4-6-14)30-20(24-13)26-17(27)12-25(21(26)29)16-9-7-15(22)8-10-16/h2-9,16H,10-12H2,1H3,(H,23,28)
InChIKeyHFVOKVNGZWRONJ-UHFFFAOYSA-N
XLogP3.33
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 163610913) is N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N2C(=O)CN(C3C=CC(F)=CC3)C2=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HFVOKVNGZWRONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c1-13-18(19(28)23-11-14-5-3-2-4-6-14)30-20(24-13)26-17(27)12-25(21(26)29)16-9-7-15(22)8-10-16/h2-9,16H,10-12H2,1H3,(H,23,28).
What are the key properties of N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(4-fluorocyclohexa-2,4-dien-1-yl)-2,5-dioxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 163610913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).