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

C17H17N5O3S — CID 24819806

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2nnc(C3CC3)s2)C1=O
InChIInChI=1S/C17H17N5O3S/c1-17(11-5-3-2-4-6-11)14(24)22(16(25)19-17)9-12(23)18-15-21-20-13(26-15)10-7-8-10/h2-6,10H,7-9H2,1H3,(H,19,25)(H,18,21,23)
InChIKeyVPRXGOTWIFSKGI-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.82
Rot. Bonds5

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 24819806) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID24819806
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2nnc(C3CC3)s2)C1=O
InChIInChI=1S/C17H17N5O3S/c1-17(11-5-3-2-4-6-11)14(24)22(16(25)19-17)9-12(23)18-15-21-20-13(26-15)10-7-8-10/h2-6,10H,7-9H2,1H3,(H,19,25)(H,18,21,23)
InChIKeyVPRXGOTWIFSKGI-UHFFFAOYSA-N
XLogP1.82
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4883514
1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 24818097
2-(1,3-dioxoisoindol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 659438
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 715668
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetamide
CID 895804
2-(1,3-dioxoisoindol-2-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1293023
4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1334639
3-(1,3-dioxoisoindol-2-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1579448
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 1579459
3-methyl-N-[(2S)-3-methyl-1-oxo-1-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide
CID 2089556
4-tert-butyl-N-[(2S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2126511
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
CID 1637764

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 24819806) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-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-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CC1(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-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is VPRXGOTWIFSKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-17(11-5-3-2-4-6-11)14(24)22(16(25)19-17)9-12(23)18-15-21-20-13(26-15)10-7-8-10/h2-6,10H,7-9H2,1H3,(H,19,25)(H,18,21,23).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 371.42 g/mol, XLogP of 1.82, 5 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-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 24819806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).