N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide

C23H23FN4O4S — CID 88973941

IUPACN-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide
SMILESC=C(/C=C\C(=C/C)OC)CN(C=O)C[C@@]1(c2nc(-c3ccc(F)cc3)cs2)NC(=O)NC1=O
InChIInChI=1S/C23H23FN4O4S/c1-4-18(32-3)10-5-15(2)11-28(14-29)13-23(20(30)26-22(31)27-23)21-25-19(12-33-21)16-6-8-17(24)9-7-16/h4-10,12,14H,2,11,13H2,1,3H3,(H2,26,27,30,31)/b10-5-,18-4+/t23-/m1/s1
InChIKeyKTGBUQRMKHXKTM-UCNHSRLRSA-N
MW470.53 g/mol
LogP3.10
Rot. Bonds10

About N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide

N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide (PubChem CID 88973941) has the molecular formula C23H23FN4O4S and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide.

Molecular Properties

Compound NameN-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide
PubChem CID88973941
Molecular FormulaC23H23FN4O4S
Molecular Weight470.53 g/mol
Exact Mass470.14
IUPAC NameN-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide
SMILESC=C(/C=C\C(=C/C)OC)CN(C=O)C[C@@]1(c2nc(-c3ccc(F)cc3)cs2)NC(=O)NC1=O
InChIInChI=1S/C23H23FN4O4S/c1-4-18(32-3)10-5-15(2)11-28(14-29)13-23(20(30)26-22(31)27-23)21-25-19(12-33-21)16-6-8-17(24)9-7-16/h4-10,12,14H,2,11,13H2,1,3H3,(H2,26,27,30,31)/b10-5-,18-4+/t23-/m1/s1
InChIKeyKTGBUQRMKHXKTM-UCNHSRLRSA-N
XLogP3.10
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2461966
3-[[2-(4-Methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7567666
5-(4-Fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 16612114
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 47094229
3-[[4-(4-Fluoro-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 71870438
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 97138883
3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 126438704
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]urea
CID 164632958
3-[(E)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enyl]imidazolidine-2,4-dione
CID 15986248
3-(3-(4-(4-Fluorophenyl)thiazol-2-yl)allyl)imidazolidine-2,4-dione
CID 68822728
5-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
CID 71176846
N-[(2S,3S)-1-(azetidine-1-carbonyl)-2-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]-N',N'-dimethyloxamide
CID 156562836

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide?
The IUPAC name of N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide (CID 88973941) is N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide.
What is the SMILES notation for N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide?
The canonical SMILES for N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide is C=C(/C=C\C(=C/C)OC)CN(C=O)C[C@@]1(c2nc(-c3ccc(F)cc3)cs2)NC(=O)NC1=O.
What is the InChIKey of N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide?
The InChIKey is KTGBUQRMKHXKTM-UCNHSRLRSA-N. The full InChI is InChI=1S/C23H23FN4O4S/c1-4-18(32-3)10-5-15(2)11-28(14-29)13-23(20(30)26-22(31)27-23)21-25-19(12-33-21)16-6-8-17(24)9-7-16/h4-10,12,14H,2,11,13H2,1,3H3,(H2,26,27,30,31)/b10-5-,18-4+/t23-/m1/s1.
What are the key properties of N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide?
N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide has a molecular weight of 470.53 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dioxoimidazolidin-4-yl]methyl]-N-[(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienyl]formamide is sourced from PubChem (CID 88973941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).