N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide

C18H14FN5O4S — CID 55536522

IUPACN-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC1(c2ccco2)NC(=O)N(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1=O
InChIInChI=1S/C18H14FN5O4S/c1-18(12-3-2-8-28-12)16(26)24(17(27)21-18)9-13-22-23-15(29-13)14(25)20-11-6-4-10(19)5-7-11/h2-8H,9H2,1H3,(H,20,25)(H,21,27)
InChIKeyUIMVGHAOORNYAI-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.49
Rot. Bonds5

About N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide

N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 55536522) has the molecular formula C18H14FN5O4S and a molecular weight of 415.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID55536522
Molecular FormulaC18H14FN5O4S
Molecular Weight415.41 g/mol
Exact Mass415.08
IUPAC NameN-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC1(c2ccco2)NC(=O)N(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1=O
InChIInChI=1S/C18H14FN5O4S/c1-18(12-3-2-8-28-12)16(26)24(17(27)21-18)9-13-22-23-15(29-13)14(25)20-11-6-4-10(19)5-7-11/h2-8H,9H2,1H3,(H,20,25)(H,21,27)
InChIKeyUIMVGHAOORNYAI-UHFFFAOYSA-N
XLogP2.49
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide (CID 55536522) is N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide is CC1(c2ccco2)NC(=O)N(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C1=O.
What is the InChIKey of N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UIMVGHAOORNYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O4S/c1-18(12-3-2-8-28-12)16(26)24(17(27)21-18)9-13-22-23-15(29-13)14(25)20-11-6-4-10(19)5-7-11/h2-8H,9H2,1H3,(H,20,25)(H,21,27).
What are the key properties of N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 415.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 55536522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).