2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

C17H17N5O3S2 — CID 51565286

IUPAC2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESC=CCSc1nnc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)s1
InChIInChI=1S/C17H17N5O3S2/c1-3-9-26-16-21-20-14(27-16)18-12(23)10-22-13(24)17(2,19-15(22)25)11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,19,25)(H,18,20,23)/t17-/m1/s1
InChIKeyLHTFNMSIOSLTFV-QGZVFWFLSA-N
MW403.49 g/mol
LogP2.22
Rot. Bonds7

About 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 51565286) has the molecular formula C17H17N5O3S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID51565286
Molecular FormulaC17H17N5O3S2
Molecular Weight403.49 g/mol
Exact Mass403.08
IUPAC Name2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESC=CCSc1nnc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)s1
InChIInChI=1S/C17H17N5O3S2/c1-3-9-26-16-21-20-14(27-16)18-12(23)10-22-13(24)17(2,19-15(22)25)11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,19,25)(H,18,20,23)/t17-/m1/s1
InChIKeyLHTFNMSIOSLTFV-QGZVFWFLSA-N
XLogP2.22
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55336855
ethyl 2-[[5-[[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 55336859
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 166179099
(3R)-3-phenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8003941
2-(2-chlorophenyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 8697316
N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 2968297
4-phenoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 8697412
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 42064246
2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 42064247
N-(2-bromophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2581057
N-(4-bromophenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580352
N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2636303

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 51565286) is 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is C=CCSc1nnc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)s1.
What is the InChIKey of 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is LHTFNMSIOSLTFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17N5O3S2/c1-3-9-26-16-21-20-14(27-16)18-12(23)10-22-13(24)17(2,19-15(22)25)11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,19,25)(H,18,20,23)/t17-/m1/s1.
What are the key properties of 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 403.49 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 51565286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).