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

C16H16FN5O3S — CID 16618846

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)s1
InChIInChI=1S/C16H16FN5O3S/c1-3-12-20-21-14(26-12)18-11(23)8-22-13(24)16(2,19-15(22)25)9-4-6-10(17)7-5-9/h4-7H,3,8H2,1-2H3,(H,19,25)(H,18,21,23)
InChIKeyQBBSDBCDFCFRLR-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.65
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 16618846) has the molecular formula C16H16FN5O3S and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID16618846
Molecular FormulaC16H16FN5O3S
Molecular Weight377.40 g/mol
Exact Mass377.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)s1
InChIInChI=1S/C16H16FN5O3S/c1-3-12-20-21-14(26-12)18-11(23)8-22-13(24)16(2,19-15(22)25)9-4-6-10(17)7-5-9/h4-7H,3,8H2,1-2H3,(H,19,25)(H,18,21,23)
InChIKeyQBBSDBCDFCFRLR-UHFFFAOYSA-N
XLogP1.65
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 16618846) is N-(5-ethyl-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-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCc1nnc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is QBBSDBCDFCFRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3S/c1-3-12-20-21-14(26-12)18-11(23)8-22-13(24)16(2,19-15(22)25)9-4-6-10(17)7-5-9/h4-7H,3,8H2,1-2H3,(H,19,25)(H,18,21,23).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 16618846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).