N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C18H19N5O3S — CID 24817945

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2nnc(C3CC3)s2)C1=O
InChIInChI=1S/C18H19N5O3S/c1-2-18(12-6-4-3-5-7-12)15(25)23(17(26)20-18)10-13(24)19-16-22-21-14(27-16)11-8-9-11/h3-7,11H,2,8-10H2,1H3,(H,20,26)(H,19,22,24)
InChIKeyVFOFESLAKGYJRB-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.21
Rot. Bonds6

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 24817945) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID24817945
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2nnc(C3CC3)s2)C1=O
InChIInChI=1S/C18H19N5O3S/c1-2-18(12-6-4-3-5-7-12)15(25)23(17(26)20-18)10-13(24)19-16-22-21-14(27-16)11-8-9-11/h3-7,11H,2,8-10H2,1H3,(H,20,26)(H,19,22,24)
InChIKeyVFOFESLAKGYJRB-UHFFFAOYSA-N
XLogP2.21
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.21
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-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 24817945) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2nnc(C3CC3)s2)C1=O.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is VFOFESLAKGYJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-2-18(12-6-4-3-5-7-12)15(25)23(17(26)20-18)10-13(24)19-16-22-21-14(27-16)11-8-9-11/h3-7,11H,2,8-10H2,1H3,(H,20,26)(H,19,22,24).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 24817945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).