N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C16H16FN5O3S2 — CID 16618819

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCSc1nnc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)s1
InChIInChI=1S/C16H16FN5O3S2/c1-3-26-15-21-20-13(27-15)18-11(23)8-22-12(24)16(2,19-14(22)25)9-4-6-10(17)7-5-9/h4-7H,3,8H2,1-2H3,(H,19,25)(H,18,20,23)
InChIKeyQWNKZDRXZSXDHL-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.19
Rot. Bonds6

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 16618819) has the molecular formula C16H16FN5O3S2 and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID16618819
Molecular FormulaC16H16FN5O3S2
Molecular Weight409.47 g/mol
Exact Mass409.07
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCSc1nnc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)s1
InChIInChI=1S/C16H16FN5O3S2/c1-3-26-15-21-20-13(27-15)18-11(23)8-22-12(24)16(2,19-14(22)25)9-4-6-10(17)7-5-9/h4-7H,3,8H2,1-2H3,(H,19,25)(H,18,20,23)
InChIKeyQWNKZDRXZSXDHL-UHFFFAOYSA-N
XLogP2.19
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 16618819) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCSc1nnc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is QWNKZDRXZSXDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3S2/c1-3-26-15-21-20-13(27-15)18-11(23)8-22-12(24)16(2,19-14(22)25)9-4-6-10(17)7-5-9/h4-7H,3,8H2,1-2H3,(H,19,25)(H,18,20,23).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 409.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 16618819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).